data_2kmy_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 2kmy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.774 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 122.063 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.76 174.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.366 3.377 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.85 134.66 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.6 p -52.51 124.18 32.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 54.2 Cg_exo -56.36 138.91 85.54 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.253 3.302 . . . . 1.0 109.632 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 -65.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.267 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.21 130.13 93.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.65 140.87 2.63 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.84 140.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -83.96 136.68 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.9 t -107.92 56.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -41.56 140.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.79 -125.17 2.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 1.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -70.47 -57.58 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 1.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.36 25.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -134.14 157.22 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -127.52 114.02 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 1.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.41 108.17 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -68.61 140.4 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -128.71 120.68 20.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.523 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 44.7 Cg_endo -86.64 135.84 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.332 3.355 . . . . 1.0 109.632 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 1.3 m80 -88.21 -37.33 16.2 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.161 0.913 . . . . 1.0 109.735 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.649 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -41.34 -69.85 0.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 54.7 Cg_exo -38.97 -41.08 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -100.68 43.13 1.07 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.146 0.904 . . . . 1.0 109.775 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.89 -27.12 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -83.24 -37.52 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.97 126.26 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.81 151.13 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.7 m -74.89 -28.05 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 108.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -67.41 -23.38 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 m -65.41 -44.75 86.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.21 -56.91 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.08 72.71 5.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.721 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 17.2 p80 -61.2 145.32 51.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.156 0.91 . . . . 1.0 109.756 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.82 149.25 31.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 1.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.38 115.0 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 49.71 37.58 13.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.73 34.17 77.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 1.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 147.6 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.35 135.6 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.618 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -148.04 166.06 28.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' SER . 69.5 m-85 -160.68 34.35 0.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.843 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.0 178.1 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.093 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' OG ' ' A' ' 48' ' ' SER . 13.5 mttt -61.66 144.71 54.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 73.4 m -61.08 -31.87 71.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 108.269 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -115.23 58.72 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 5.2 m -90.74 143.78 26.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 1.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -39.1 114.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 1.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.79 -41.76 2.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.2 m -85.89 -142.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.575 ' CE1' HG11 ' A' ' 67' ' ' VAL . 41.6 m-70 -66.22 58.83 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.73 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.13 -44.67 52.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 109.268 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 42.3 t0 -61.54 119.27 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.94 0.67 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 1.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.5 m -98.41 -60.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -47.68 146.88 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -67.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.37 153.75 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.14 142.8 5.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 1.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -75.85 -1.54 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.58 9.99 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.89 126.17 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 1.0 110.044 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.14 -16.0 63.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -83.4 -43.33 16.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 9.6 t80 -61.25 -16.32 44.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.893 -0.575 . . . . 1.0 109.839 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.5 m -109.82 46.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 69' ' ' HIS . 12.3 t -161.79 -49.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 68' ' ' VAL . 3.7 m80 -108.34 36.48 2.8 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.738 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -112.92 95.42 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.58 -15.42 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 -157.97 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 1.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -85.81 136.05 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 1.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD1' ' OG ' ' A' ' 78' ' ' SER . 5.9 mt -143.6 -171.2 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -93.21 -28.37 16.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 57.7 m-70 -122.23 -171.99 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -99.05 125.15 44.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.436 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -85.5 165.23 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.0 110.0 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -71.24 -65.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 108.347 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.61 -29.84 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.7 t -47.16 -61.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 40.3 m170 -37.76 -52.53 1.28 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.772 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -53.12 -46.32 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.003 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -68.79 -33.97 74.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.9 -63.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -52.47 -20.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.3 -34.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.15 -35.51 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.93 85.74 50.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.07 6.66 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.305 3.337 . . . . 1.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -5.95 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.98 -0.55 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -56.24 -28.4 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 4.26 14.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.528 ' CB ' HD23 ' A' ' 97' ' ' LEU . 1.4 m-20 -126.51 -43.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.614 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -103.99 50.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 161.99 -27.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.07 129.13 31.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.87 -50.21 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 134.52 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.29 56.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.5 p -124.72 164.32 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -19.13 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -70.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -88.0 112.53 49.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.751 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.283 3.322 . . . . 1.0 109.57 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.77 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 122.085 0.945 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.0 168.9 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.323 3.348 . . . . 1.0 109.591 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.74 135.55 33.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.36 122.35 54.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -52.52 137.04 57.82 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.315 3.343 . . . . 1.0 109.585 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 139.6 86.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -43.0 144.9 1.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.295 3.33 . . . . 1.0 109.616 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.29 142.99 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.33 132.82 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 64.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -47.06 142.62 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 1.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.67 -110.8 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.31 -48.83 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 1.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -154.33 29.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -149.43 151.71 34.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -125.43 120.22 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 t -115.1 116.28 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -70.0 150.05 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -137.86 117.84 10.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.2 Cg_endo -83.8 124.41 3.47 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.297 3.331 . . . . 1.0 109.588 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -81.2 -36.98 29.4 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.14 0.9 . . . . 1.0 109.747 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -43.47 -67.79 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 87.3 Cg_exo -39.73 -43.44 3.2 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.343 3.362 . . . . 1.0 109.598 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -96.1 45.02 1.07 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.151 0.907 . . . . 1.0 109.763 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.9 tm-20 -89.3 -26.39 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -83.33 -43.49 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' GLU . 79.8 t -48.96 127.53 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -42.29 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 1.2 t -89.65 -24.86 21.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 1.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.42 1.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.2 m -77.66 -44.74 27.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.38 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -97.71 -58.72 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 108.267 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.89 67.98 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.747 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.599 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.6 p80 -56.71 152.39 12.33 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.164 0.915 . . . . 1.0 109.762 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.35 147.9 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.07 98.26 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.84 35.61 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.16 33.02 65.17 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 1.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 120.42 15.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -46.55 136.8 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.11 165.14 33.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 1.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.1 m-85 -160.86 33.88 0.15 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.925 -1.034 . . . . 1.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.44 -177.73 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -64.21 138.21 58.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.85 -32.39 63.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 1.0 108.34 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.83 57.45 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 1.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 16.2 m -91.1 144.07 26.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 1.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 49.4 m -38.1 119.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.37 -42.38 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 1.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.2 m -84.27 -143.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.563 ' CE1' HG11 ' A' ' 67' ' ' VAL . 30.3 m-70 -65.71 57.62 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.777 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -72.1 -40.91 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.16 117.76 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.18 1.56 15.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -98.88 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 1.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.52 155.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -38.1 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -109.54 152.52 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.0 139.66 4.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 1.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.87 -6.49 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 1.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 12.6 26.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.92 138.47 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.04 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 tp -80.17 -28.94 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -72.65 -44.26 62.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.407 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 16.2 t80 -60.58 -15.93 32.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.939 -0.553 . . . . 1.0 109.848 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.6 m -107.65 40.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.526 HG13 ' CE1' ' A' ' 69' ' ' HIS . 15.2 t -154.09 -50.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 1.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.526 ' CE1' HG13 ' A' ' 68' ' ' VAL . 1.3 m80 -105.71 37.47 2.23 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.796 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -101.86 101.52 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -93.16 -6.72 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.11 -160.56 24.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.162 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.3 pm0 -94.82 138.37 32.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.4 mt -140.98 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -87.7 -24.14 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.599 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 51.0 m-70 -128.24 -173.02 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 1.0 109.542 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.33 126.93 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.0 m -87.08 171.34 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 1.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.437 ' C ' ' N ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -70.96 -72.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' CYS . 5.1 mp -39.9 -31.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -63.12 -69.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -50.8 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 32.3 m170 -36.1 -51.94 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.014 -0.993 . . . . 1.0 109.773 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.401 ' O ' HG21 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -53.67 -49.8 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 1.0 109.998 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' CYS . 2.7 mtpm? -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.8 t -73.43 -66.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 84' ' ' SER . 29.6 m -50.56 -22.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.7 -35.98 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.77 -36.68 15.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -122.92 85.3 50.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.16 4.68 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.3 3.333 . . . . 1.0 109.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -9.4 49.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.2 mt -107.99 -1.16 20.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 1.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -54.84 -27.79 44.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 7.3 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -129.09 -44.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 1.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -101.33 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 165.15 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -48.42 130.89 20.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.5 m -79.82 -48.67 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.29 49.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt 65.8 48.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 13.9 p -117.54 166.12 12.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -18.9 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.441 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 60.1 m -93.67 -70.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 93.7 m-70 -91.72 110.38 43.09 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.052 -0.976 . . . . 1.0 109.752 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 31.7 Cg_exo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 124.341 3.36 . . . . 1.0 109.549 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.774 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 122.094 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.6 Cg_endo -50.52 170.76 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.292 3.328 . . . . 1.0 109.615 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.42 34.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.328 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 p -55.52 127.51 66.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 74.6 Cg_exo -54.17 137.28 70.19 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.295 3.33 . . . . 1.0 109.61 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 -59.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 1.0 109.315 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -75.61 140.99 72.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.97 148.35 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.286 3.324 . . . . 1.0 109.621 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.05 140.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.311 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.08 143.31 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LYS . 87.0 t -114.63 63.86 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 10.4 mmtt -40.44 141.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 -134.58 3.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -54.82 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 1.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.45 27.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -135.66 159.88 40.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -129.41 109.57 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.62 117.78 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mmm -71.0 148.57 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -139.57 114.63 8.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.9 Cg_endo -83.29 132.92 6.18 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.289 3.326 . . . . 1.0 109.586 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -85.1 -36.1 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.173 0.921 . . . . 1.0 109.735 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.24 -71.43 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.681 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 74.5 Cg_exo -36.47 -44.57 0.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.286 3.324 . . . . 1.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -95.64 47.22 1.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.12 0.887 . . . . 1.0 109.723 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -90.36 -27.38 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.33 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -36.35 35.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -69.53 117.33 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.97 165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -82.15 -30.91 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.66 -25.8 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 m -63.61 -42.67 98.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.31 -58.48 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 108.345 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.3 m-70 -77.12 71.09 3.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.729 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 12.2 p80 -59.1 143.27 49.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.086 0.866 . . . . 1.0 109.752 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.54 146.65 39.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.1 114.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.73 31.04 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 1.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.74 60.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 1.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -139.35 137.82 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 1.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.76 135.1 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -147.25 160.28 42.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.0 110.005 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 42' ' ' SER . 59.2 m-85 -159.17 33.16 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.818 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.88 178.72 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 48' ' ' SER . 31.1 mttt -62.14 134.58 56.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -51.24 -33.2 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 1.0 108.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -114.31 58.47 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 1.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.8 m -89.23 143.02 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 1.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' SER . 51.1 m -37.53 112.73 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.1 -45.71 1.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -81.9 -142.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 32.6 m-70 -66.41 57.33 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.746 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -77.58 -38.63 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 14.2 t70 -59.66 124.3 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 1.5 mt -120.21 8.96 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.55 -57.46 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 1.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.46 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -49.61 141.93 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -52.59 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.97 169.5 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 144.7 7.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -75.54 -3.51 34.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 1.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 8.17 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.407 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.62 139.24 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 58.6 tp -84.25 -17.45 39.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 21.4 t80 -83.49 -43.03 16.22 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.83 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 34.5 t80 -67.33 -4.46 10.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.952 -0.546 . . . . 1.0 109.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 11.0 m -113.85 35.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 94.4 t -158.11 -47.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.1 m80 -99.63 20.55 13.8 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.814 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -97.44 103.73 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.67 -8.86 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.86 -158.66 3.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.43 136.57 32.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 1.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mt -142.02 -169.81 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -88.12 -35.61 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 87.3 m-70 -118.45 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -98.88 130.57 45.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.03 172.96 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.43 -67.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 108.288 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -22.4 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -65.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -50.56 -57.22 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 108.323 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 54.7 m170 -39.12 -55.75 1.57 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.757 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -49.06 -50.07 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 1.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -63.43 -31.31 72.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 88' ' ' ALA . 75.0 t -72.5 -66.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 97' ' ' LEU . 33.1 m -49.9 -22.83 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 86' ' ' VAL . . . -42.87 -34.56 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.52 -37.43 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.92 85.83 50.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.69 4.96 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.348 3.365 . . . . 1.0 109.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.34 -10.45 44.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.262 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.3 mt -106.9 -1.06 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 1.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -54.53 -30.33 53.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.68 4.99 12.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -127.31 -44.3 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 1.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -99.54 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 162.53 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -45.14 127.61 7.75 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.556 1.16 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.1 m -76.93 -48.46 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.94 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 63.33 53.28 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 8.5 p -119.48 166.25 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 1.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -16.24 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.14 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 108.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -79.29 114.07 41.82 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.77 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.446 -1.267 0 C-N-CA 124.321 3.347 . . . . 1.0 109.636 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.784 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.103 0.954 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.509 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.0 Cg_endo -51.74 171.05 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.314 3.342 . . . . 1.0 109.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.04 136.72 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -59.14 123.3 68.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 76.2 Cg_exo -54.3 142.54 68.22 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.309 3.339 . . . . 1.0 109.593 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -67.25 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 127.42 92.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -36.82 141.36 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.322 3.348 . . . . 1.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.73 140.23 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.32 132.58 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.9 t -102.22 74.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -46.9 152.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.84 -136.71 3.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -88.86 -30.81 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.88 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.31 161.73 40.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -132.92 140.63 47.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -134.28 114.57 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 mmm -69.1 151.69 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -140.65 113.5 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 57.2 Cg_endo -83.5 131.72 5.64 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.345 3.363 . . . . 1.0 109.567 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -84.77 -35.74 22.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.102 0.876 . . . . 1.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.67 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.53 -71.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.67 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 53.6 Cg_exo -38.67 -40.2 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.331 3.354 . . . . 1.0 109.543 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -101.99 45.76 0.95 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.163 0.914 . . . . 1.0 109.81 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.91 -26.36 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.83 -38.72 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.1 116.41 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.17 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.0 110.243 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -88.72 -24.09 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 1.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -21.32 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 m -70.81 -35.21 72.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 1.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.3 m -103.6 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.76 71.0 6.39 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.762 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.6 p80 -56.96 156.6 6.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.133 0.895 . . . . 1.0 109.775 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.13 146.5 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.78 107.7 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 57.65 48.47 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.33 33.55 61.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -135.37 154.56 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 1.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.4 tt0 -75.66 137.18 40.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.639 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.47 160.34 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 42' ' ' SER . 57.4 m-85 -157.67 42.21 0.31 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.775 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.8 176.14 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.75 165.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 63.7 m -91.47 19.26 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 108.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -162.55 61.09 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.1 m -104.89 147.9 27.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 70.9 m -37.19 128.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.54 -36.54 3.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.8 m -94.67 -146.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.611 ' CE1' HG12 ' A' ' 67' ' ' VAL . 17.2 m-70 -64.89 62.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.749 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -72.11 -48.72 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 24.1 t0 -56.78 122.41 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -113.18 0.22 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.4 m -101.13 -60.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.64 142.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 150.93 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.03 147.34 6.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 1.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -82.16 9.85 7.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 1.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.54 15.19 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -107.96 131.47 54.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 67' ' ' VAL . 38.2 tp -70.92 -11.61 61.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -87.05 -40.86 14.31 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.839 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 7.6 t80 -65.72 -6.94 13.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.876 -0.583 . . . . 1.0 109.803 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.611 HG12 ' CE1' ' A' ' 52' ' ' HIS . 2.6 m -115.57 46.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 6.7 t -163.58 -48.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 1.1 m80 -109.82 36.7 2.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.768 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 74' ' ' LEU . . . -113.87 95.06 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -14.98 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.93 -156.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 134.94 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 0.813 . . . . 1.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 70' ' ' ALA . 4.0 mt -143.2 -174.71 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -21.82 21.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 43.1 m-70 -126.08 -173.11 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -103.04 126.27 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 m -88.77 167.87 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.3 m -66.71 -65.4 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 68' ' ' VAL . 5.5 mp -46.1 -23.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -72.0 -51.36 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.79 29.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 108.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.598 ' CE1' HD12 ' A' ' 97' ' ' LEU . 3.7 m170 -128.63 -57.13 1.2 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -67.65 -23.3 65.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 1.0 110.012 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.3 mtpp -91.26 -32.76 15.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.15 -43.7 98.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.16 -23.22 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.55 -36.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.26 -43.47 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 1.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -112.97 90.2 15.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.74 9.68 2.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.265 3.31 . . . . 1.0 109.617 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -9.21 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 1.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.7 mt -107.54 -1.71 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -47.23 -25.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.48 40.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.5 m-20 -156.43 -42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.598 HD12 ' CE1' ' A' ' 83' ' ' HIS . 1.2 mm? -108.52 36.07 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.538 ' CG2' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -171.3 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.65 125.9 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 1.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.5 m -71.26 -43.86 66.39 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.27 141.4 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.82 46.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.5 p -120.98 164.57 16.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -57.17 -17.89 13.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 1.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 72.8 m -93.99 -63.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 1.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -101.18 106.45 45.14 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.795 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.5 Cg_exo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.323 3.349 . . . . 1.0 109.57 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.105 0.955 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.95 172.82 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.336 3.358 . . . . 1.0 109.585 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.83 121.06 30.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 p -40.08 123.22 1.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 74.2 Cg_exo -53.47 139.29 65.7 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.262 3.308 . . . . 1.0 109.589 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -74.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 138.04 91.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.86 144.81 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.349 . . . . 1.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.56 142.87 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -93.4 131.58 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.37 68.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.57 141.55 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.05 -130.22 3.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 p -70.94 -58.1 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 1.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -151.92 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -135.86 147.05 48.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -126.24 111.39 14.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -110.33 120.91 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.93 153.04 38.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -141.88 119.38 7.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.488 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.0 Cg_endo -88.46 129.44 2.25 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 1.0 109.623 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -82.03 -32.99 30.22 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.164 0.915 . . . . 1.0 109.824 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.712 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -47.33 -72.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.712 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 84.1 Cg_exo -33.8 -39.47 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.312 3.341 . . . . 1.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -96.98 51.02 1.11 Allowed 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.113 0.883 . . . . 1.0 109.764 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.1 mt-10 -90.46 -29.0 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -80.78 -37.44 30.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 46.9 t -54.71 127.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -46.15 172.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.4 -0.82 34.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 1.0 108.357 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.61 -3.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -77.69 -39.08 45.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.1 m -96.92 -60.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 108.302 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.52 74.97 5.05 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.708 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 24.7 p80 -62.38 146.82 50.29 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 124.164 0.915 . . . . 1.0 109.763 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 45.8 mt -69.91 152.3 44.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.41 126.27 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 1.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.46 35.9 15.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.38 91.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 4.1 ptmt -129.74 177.67 7.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.97 137.44 40.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.69 164.5 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.991 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 61.7 m-85 -156.88 31.45 0.3 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.71 179.47 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' O ' ' OG ' ' A' ' 48' ' ' SER . 7.3 mttt -65.22 138.48 58.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 71.2 m -52.75 -32.87 45.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -111.8 57.63 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 19.7 m -94.13 144.03 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 1.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.8 m -37.63 123.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.0 109.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -32.33 7.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -93.03 -145.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.604 ' CE1' HG12 ' A' ' 67' ' ' VAL . 38.6 m-70 -64.51 61.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.91 -48.33 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 45.5 t0 -57.13 119.6 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.92 -1.15 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -96.74 -62.83 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -50.1 147.95 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -36.26 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 134.4 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.18 148.13 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 1.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.37 7.84 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -118.13 8.96 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -98.82 119.67 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' C ' HG21 ' A' ' 67' ' ' VAL . 63.4 tp -59.98 -15.65 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 31.5 t80 -84.82 -39.78 17.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.859 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.68 -0.43 5.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 118.904 -0.569 . . . . 1.0 109.803 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.604 HG12 ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.81 38.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.613 HG12 ' CE1' ' A' ' 69' ' ' HIS . 51.9 t -160.09 -48.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.1 m80 -105.28 35.46 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.781 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -114.22 93.79 4.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 1.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.01 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.99 -159.29 0.41 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 1.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 1.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 10.9 mt -148.31 -171.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -26.44 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 51.4 m-70 -126.55 -169.4 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -105.05 127.35 52.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -87.59 171.19 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -69.37 -66.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 8.3 mp -47.21 -23.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.37 -51.01 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.9 t -93.63 34.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 108.262 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.2 m170 -132.91 -45.61 0.86 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.766 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -73.88 -16.68 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.995 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 40.6 mttt -94.03 -35.14 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.96 -40.68 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.32 -19.57 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.3 -40.86 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.73 -21.69 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 1.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.43 87.75 41.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.95 9.74 3.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.321 3.347 . . . . 1.0 109.62 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.07 -2.13 35.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.6 mt -116.14 1.0 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -89.47 16.81 7.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 9.1 m-20 -131.44 -44.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -107.06 49.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.7 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -49.18 130.69 24.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 1.0 108.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.98 130.72 55.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 68.09 55.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 28.5 p -123.87 165.68 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -58.36 -18.05 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -97.77 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 108.312 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -93.03 110.33 45.27 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 50.3 Cg_exo . . . . . 0 N--CA 1.447 -1.258 0 C-N-CA 124.303 3.335 . . . . 1.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.768 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 122.056 0.931 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 19.6 Cg_endo -58.73 171.89 1.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.302 3.335 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.0 116.43 18.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.318 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 p -47.32 122.15 7.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 76.4 Cg_exo -54.08 138.02 70.39 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.273 3.315 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.66 -65.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.51 128.47 93.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -38.89 141.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.296 3.331 . . . . 1.0 109.612 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.99 138.48 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.306 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 147.48 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.31 59.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -43.61 143.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.11 -129.84 2.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 p -69.67 -57.37 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 1.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 27.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -136.49 150.13 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -125.58 112.88 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.16 118.8 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 mmt -73.92 153.72 39.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -140.93 114.94 7.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.547 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 38.2 Cg_endo -86.4 135.67 4.46 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.272 3.315 . . . . 1.0 109.621 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.401 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 3.6 m80 -86.04 -37.13 19.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.138 0.899 . . . . 1.0 109.773 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.632 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -43.66 -68.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.632 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 73.4 Cg_exo -39.86 -36.58 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.33 3.353 . . . . 1.0 109.606 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -104.0 42.25 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 O-C-N 124.157 0.911 . . . . 1.0 109.76 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 tp10 -100.59 42.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -46.15 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 32' ' ' THR . 3.1 t -72.11 140.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.42 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 3.6 m -97.82 24.18 7.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.18 -20.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 1.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 ' CG2' HG13 ' A' ' 28' ' ' VAL . 20.9 m -66.89 -41.24 87.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' CYS . 98.4 m-70 -76.19 71.22 2.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.732 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.4 p80 -59.66 146.3 41.64 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.112 0.883 . . . . 1.0 109.755 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 149.51 39.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 1.5 t -112.02 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t70 67.43 40.38 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.45 31.66 81.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -135.56 149.03 49.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 1.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.11 140.84 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -155.0 163.03 40.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 1.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 67.1 m-85 -159.06 35.17 0.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.829 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 179.95 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 165.0 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 65.3 m -92.82 22.09 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 59.4 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.2 m -102.03 148.62 25.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 1.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 92.3 p -37.64 124.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.87 -38.93 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.1 m -90.99 -145.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' VAL . 19.2 m-70 -66.03 60.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -81.41 -32.62 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 9.6 t70 -66.14 124.1 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.89 8.61 10.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -52.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -63.44 154.05 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.9 -35.23 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -104.6 149.7 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.86 147.64 7.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.27 1.58 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 1.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.37 7.13 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 133.62 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 1.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.9 tp -74.94 -14.56 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -85.7 -41.5 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.975 -1.012 . . . . 1.0 109.846 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.426 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 14.0 t80 -65.66 -5.24 7.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.907 -0.568 . . . . 1.0 109.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 52' ' ' HIS . 10.1 m -120.28 39.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG12 ' CE1' ' A' ' 69' ' ' HIS . 5.5 t -153.71 -50.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -107.71 39.68 1.87 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -108.03 105.2 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -98.28 -8.76 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.08 -157.99 8.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 1.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 3.2 mt -142.03 -170.23 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -89.64 -26.35 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 65.1 m-70 -124.01 -170.88 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -101.1 123.78 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.426 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -83.71 164.8 19.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -68.66 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 108.266 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.08 -29.41 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 1.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.44 -67.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -52.51 -54.05 37.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -44.06 -56.93 3.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.766 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -48.88 -51.03 32.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 110.023 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -64.67 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.36 -62.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 97' ' ' LEU . 30.6 m -53.22 -20.77 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.15 -38.39 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.99 -37.53 18.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 91.78 49.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.81 8.5 3.4 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.313 3.342 . . . . 1.0 109.604 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.1 -5.95 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.8 mt -111.06 -0.86 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -57.06 -32.22 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -7.39 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.512 ' CB ' HD21 ' A' ' 97' ' ' LEU . 11.9 m-20 -115.61 -42.17 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.43 47.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.45 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 1.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -46.46 128.14 10.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -77.89 -47.27 19.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.17 52.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.0 42.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.0 p -113.84 166.37 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -59.14 -23.54 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -90.02 -59.71 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -102.27 104.3 36.22 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 32.5 Cg_exo . . . . . 0 N--CA 1.447 -1.243 0 C-N-CA 124.323 3.349 . . . . 1.0 109.617 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.782 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 122.064 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 11.4 Cg_endo -50.79 169.98 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.295 3.33 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.78 139.09 40.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.77 127.17 93.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.3 140.68 81.87 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 1.0 109.586 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -67.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 1.0 109.324 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 136.36 96.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.78 135.08 7.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.329 3.353 . . . . 1.0 109.646 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.87 140.66 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.1 151.1 23.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.2 t -123.99 62.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 142.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.63 -127.1 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -56.96 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -160.15 25.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -137.83 155.92 48.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -124.13 119.92 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.27 114.59 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -66.36 150.17 49.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -138.25 112.16 8.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.515 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 43.8 Cg_endo -84.38 130.06 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.266 3.311 . . . . 1.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -83.65 -34.74 24.97 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.123 0.889 . . . . 1.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.625 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -43.55 -67.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 89.3 Cg_exo -39.23 -35.51 0.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.297 3.331 . . . . 1.0 109.589 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -108.95 50.15 0.79 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.134 0.896 . . . . 1.0 109.787 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 10.2 tt0 -91.96 -27.87 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -83.01 -39.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.39 125.23 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -53.43 152.65 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -75.93 -28.15 57.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.41 -21.62 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 1.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 m -69.61 -36.63 76.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -102.36 -56.32 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -78.95 68.11 4.82 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.768 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 6.6 p80 -56.27 143.04 35.36 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.173 0.921 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.18 147.48 35.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.41 108.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.7 t0 53.3 46.1 27.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.06 32.95 84.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 1.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 166.25 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.77 134.54 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.97 163.59 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.969 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.8 m-85 -159.36 35.35 0.2 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.817 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.11 174.28 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 163.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 58.7 m -89.25 25.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.2 57.1 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 15.1 m -101.87 144.75 30.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 1.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -36.09 125.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.965 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.08 -38.85 2.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -90.77 -144.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.497 ' CE1' HG12 ' A' ' 67' ' ' VAL . 24.4 m-70 -66.33 60.02 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -68.74 -48.01 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 44.9 t0 -60.15 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -118.37 4.69 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.8 m -105.32 -58.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -41.25 147.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -25.18 14.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.52 146.53 47.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.62 144.28 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.574 1.171 . . . . 1.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -76.4 0.99 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 0.799 . . . . 1.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.26 11.57 29.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.7 OUTLIER -101.2 146.89 26.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 1.0 109.973 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 64.8 tp -88.52 -23.54 23.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 2.8 t80 -81.32 -40.53 23.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.857 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 67.6 t80 -73.64 10.58 1.04 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.903 -0.57 . . . . 1.0 109.812 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 64' ' ' LEU . 1.4 m -126.6 31.14 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.421 ' CG2' ' C ' ' A' ' 67' ' ' VAL . 20.1 t -153.71 -48.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' ALA . 24.1 m80 -86.26 -39.1 16.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.771 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -38.83 109.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -3.57 34.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.32 -160.92 13.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 1.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 137.09 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 1.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.79 -168.27 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -85.61 -18.5 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 32.3 m80 -138.29 -173.26 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 1.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m -94.17 135.49 35.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.52 176.83 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 m -78.81 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 108.314 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD2' HG23 ' A' ' 98' ' ' THR . 4.9 mt -53.94 -18.94 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' CD ' ' A' ' 85' ' ' LYS . . . -73.74 -48.84 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.32 35.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 8.7 m170 -128.08 -65.54 0.9 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.726 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.9 t -57.48 -15.86 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 110.032 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 mptt -91.29 -36.77 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.48 -43.2 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -54.4 -25.22 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -40.6 -33.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.89 -43.67 7.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.78 23.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.99 10.0 2.81 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.282 3.321 . . . . 1.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -9.07 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.19 0.6 19.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -53.7 -19.2 3.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 43.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.02 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -95.86 23.25 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.476 HG23 ' CD2' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -160.74 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.28 124.01 0.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.984 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.7 m -73.42 -46.45 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.51 135.0 51.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 1.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 66.62 56.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -126.58 164.31 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 1.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -53.29 -21.08 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.32 -72.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 108.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.24 113.75 46.11 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.781 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 C-N-CA 124.32 3.347 . . . . 1.0 109.577 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.78 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.503 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.0 Cg_endo -51.68 170.54 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.342 3.362 . . . . 1.0 109.607 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 125.56 34.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 1.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.468 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.0 p -47.58 122.77 8.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 67.3 Cg_exo -55.29 137.01 76.03 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.323 3.348 . . . . 1.0 109.594 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.38 32.58 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.502 ' O ' HG11 ' A' ' 9' ' ' VAL . 2.8 tmtt? -149.28 117.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' LYS . 12.5 Cg_exo -33.01 112.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 7' ' ' LYS . 29.1 m -93.28 151.84 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.31 131.63 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.8 t -102.37 73.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -52.65 151.8 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.21 -138.8 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -52.06 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -161.54 26.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.01 161.22 36.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -134.11 128.91 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 1.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.98 118.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -71.52 148.85 46.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 1.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -138.37 111.16 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.1 Cg_endo -81.89 132.66 7.58 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.355 3.37 . . . . 1.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -85.04 -36.05 21.49 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.116 0.885 . . . . 1.0 109.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.68 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.25 -71.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 62.6 Cg_exo -37.79 -36.52 0.44 Allowed 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.33 3.353 . . . . 1.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -102.41 49.62 0.84 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.11 0.881 . . . . 1.0 109.8 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.7 mt-10 -92.06 -26.19 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -39.6 29.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.03 129.26 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.04 170.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -87.53 -33.36 18.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -23.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 1.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -65.6 -46.44 79.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 m -94.85 -56.03 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -77.86 63.61 2.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.43 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 6.3 p80 -52.85 147.89 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.14 0.9 . . . . 1.0 109.734 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.04 147.06 45.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.345 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG1' ' H ' ' A' ' 38' ' ' ASP . 18.4 t -70.29 -124.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.443 ' H ' ' CG1' ' A' ' 37' ' ' VAL . 36.1 p30 -98.59 28.98 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.71 52.75 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 1.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 116.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 0.799 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.5 tt0 -48.9 141.39 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.63 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.88 163.39 38.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.1 m-85 -154.79 43.96 0.5 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.825 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.33 -178.5 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 166.4 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 60.8 m -92.22 22.63 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.81 58.51 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 1.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 m -103.88 147.15 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 1.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.3 m -36.76 128.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.74 -35.93 4.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -94.35 -145.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 23.2 m-70 -65.47 61.42 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.765 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -72.56 -41.2 66.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.21 125.92 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 5.43 12.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 -56.82 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.67 141.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -91.41 -37.71 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.71 148.21 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.51 145.87 6.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.54 0.67 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 1.0 110.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -105.61 7.79 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.57 141.01 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -82.55 -26.29 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 33.8 t80 -74.97 -40.5 60.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.856 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 25.2 t80 -66.17 -5.48 10.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.92 -0.562 . . . . 1.0 109.824 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.539 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 3.5 m -118.43 40.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.583 HG12 ' CE1' ' A' ' 69' ' ' HIS . 53.5 t -159.84 -47.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.583 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.0 m80 -104.29 22.89 14.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.755 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -101.54 100.43 10.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -92.63 -15.88 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.69 -158.13 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 1.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.61 135.28 33.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.767 . . . . 1.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -140.56 -171.77 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.03 -8.96 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 26.7 m80 -139.6 177.3 8.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 1.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -90.05 129.37 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 172.61 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.87 -64.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.47 -21.16 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.88 -52.04 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.461 ' CD2' HD11 ' A' ' 97' ' ' LEU . 43.2 m170 -45.64 -51.6 11.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.762 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -53.47 -54.98 29.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.014 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.2 mttt -59.63 -33.59 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.81 -62.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.9 m -52.54 -20.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.1 -36.5 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.28 -37.62 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.24 93.19 47.94 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.88 12.6 2.39 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.314 3.343 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -97.36 -8.71 28.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.4 mt -109.98 -1.01 17.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.38 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -86.25 11.97 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.15 -43.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.577 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -103.23 49.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 163.58 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 110.427 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.28 129.41 32.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 1.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 34.4 m -77.54 -50.06 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.02 134.11 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mttp 66.82 54.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 p -123.12 164.02 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -54.98 -22.34 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 16.5 m -93.77 -71.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.81 113.8 40.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.822 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.768 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.051 0.929 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ALA . 52.3 Cg_exo -46.71 174.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.309 3.339 . . . . 1.0 109.551 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.01 124.4 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.0 p -46.16 128.11 7.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.42 ' HB2' ' ND1' ' A' ' 22' ' ' HIS . 50.6 Cg_exo -57.86 135.41 68.84 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.319 3.346 . . . . 1.0 109.616 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.58 22.84 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.472 ' CD ' ' HD2' ' A' ' 8' ' ' PRO . 1.3 tptt -138.67 121.7 10.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD2' ' CD ' ' A' ' 7' ' ' LYS . 23.2 Cg_exo -33.9 111.12 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.315 3.343 . . . . 1.0 109.599 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -90.29 140.83 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -93.51 128.64 39.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.25 67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -43.14 140.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.95 -146.2 5.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 1.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.77 39.89 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 1.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -168.73 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 -168.92 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 m -122.69 140.87 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.0 116.25 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.23 148.64 41.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -139.0 117.53 9.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.493 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 63.7 Cg_endo -83.52 135.84 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.281 3.32 . . . . 1.0 109.614 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 1.5 m80 -86.89 -37.81 17.33 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.779 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.69 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -41.76 -71.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.69 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 54.3 Cg_exo -38.43 -32.7 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.386 3.391 . . . . 1.0 109.521 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -103.85 52.8 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.153 0.908 . . . . 1.0 109.802 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.75 39.86 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 110.243 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.88 -46.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -76.84 124.79 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.08 156.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.0 m -74.84 -27.01 60.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 32' ' ' THR . 2.7 p -63.38 -27.56 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 31' ' ' VAL . 22.2 m -60.96 -51.58 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.47 -53.81 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 108.348 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.3 m-70 -84.16 85.48 7.35 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.775 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.8 p80 -67.02 157.75 32.69 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.149 0.906 . . . . 1.0 109.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.99 149.05 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.37 103.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 109.331 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 59.25 54.09 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.347 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.58 29.17 47.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 158.64 40.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.62 134.77 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -146.22 163.55 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.991 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.1 m-85 -159.22 33.85 0.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.82 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.43 -178.45 6.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 48' ' ' SER . 6.8 mttp -60.75 145.98 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 71.0 m -66.35 -36.23 82.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -108.47 56.2 0.48 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 3.6 m -91.94 141.81 28.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 1.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.5 m -37.62 123.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.1 -36.61 4.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.8 m -89.17 -142.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 40.2 m-70 -65.1 59.26 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.004 -0.998 . . . . 1.0 109.799 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -72.64 -51.09 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 14.8 t70 -54.17 128.6 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -121.26 8.35 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -45.79 126.02 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 1.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 165.8 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.21 139.64 5.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 1.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.67 -0.68 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 1.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -113.13 7.75 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 57' ' ' ALA . 3.6 m -98.6 136.02 39.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.96 -22.73 49.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 48.8 t80 -78.49 -41.97 31.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.835 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -54.82 -16.46 2.64 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.799 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.705 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.84 55.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 13.1 t -163.37 -48.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.547 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 6.5 m80 -111.73 23.85 13.4 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.008 -0.997 . . . . 1.0 109.753 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -96.54 108.44 21.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -102.93 -1.04 30.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.6 -158.84 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 137.25 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -140.76 -170.68 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -81.92 -16.31 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 50.4 m-70 -138.96 -169.52 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.584 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.85 127.91 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.469 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 8.4 m -86.97 171.21 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.33 -58.22 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 1.0 108.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -53.86 -22.05 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.51 -62.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.25 -62.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -37.77 -51.67 1.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.767 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.81 -51.57 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 1.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 11.0 mttt -66.24 -30.96 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.91 -63.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.68 -20.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.85 -35.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -95.1 -41.16 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.32 94.98 33.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.92 11.85 2.64 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.331 3.354 . . . . 1.0 109.606 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.69 -10.55 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASP . 47.7 mt -106.09 -4.9 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -50.65 -28.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 30.29 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -152.07 -45.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 98' ' ' THR . 1.1 mm? -101.92 50.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 164.7 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.91 133.47 36.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 1.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 40.9 m -80.66 -51.56 8.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.98 134.98 50.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 1.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? 66.65 48.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.7 p -118.58 164.65 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.66 -24.01 54.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 1.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.15 -63.54 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 108.345 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.82 109.96 46.85 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 C-N-CA 124.255 3.303 . . . . 1.0 109.629 179.814 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.768 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.097 0.951 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.525 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 10.2 Cg_endo -49.61 171.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.323 3.348 . . . . 1.0 109.633 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.73 133.14 35.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.296 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.85 123.38 71.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 51.3 Cg_exo -57.0 136.23 75.49 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.34 3.36 . . . . 1.0 109.631 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 29.56 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 116.48 5.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -34.35 103.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.286 3.324 . . . . 1.0 109.627 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.5 m -89.47 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 1.0 109.324 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.7 131.16 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LYS . 94.4 t -97.02 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 1.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 15.7 mmtt -39.89 142.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 1.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 -129.88 2.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 1.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.4 p -69.22 -56.37 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 1.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -160.19 31.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -143.56 146.09 33.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -117.11 134.39 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.16 108.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 1.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 19' ' ' MET . 2.8 ptp -64.13 140.61 58.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -131.61 118.43 16.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.4 Cg_endo -87.96 132.01 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.283 3.322 . . . . 1.0 109.626 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.3 -37.47 21.62 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.145 0.903 . . . . 1.0 109.769 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.65 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.18 -69.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 57.7 Cg_exo -40.44 -31.42 0.61 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.302 3.334 . . . . 1.0 109.628 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -112.82 50.1 0.9 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.137 0.898 . . . . 1.0 109.761 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -111.96 38.48 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 1.0 110.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -45.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.481 HG13 ' CG2' ' A' ' 32' ' ' THR . 18.5 t -70.91 124.28 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -38.27 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -72.65 -26.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 1.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.93 -22.54 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.481 ' CG2' HG13 ' A' ' 28' ' ' VAL . 63.1 m -64.35 -48.56 75.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.8 m -93.98 -55.33 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -78.61 74.89 5.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.751 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.0 p80 -61.46 156.14 20.08 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.21 0.944 . . . . 1.0 109.735 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.1 145.49 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.55 126.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 55.02 27.69 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.97 43.32 82.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.21 148.49 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.91 138.79 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 1.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.89 163.17 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 1.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.8 m-85 -154.88 31.87 0.4 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.871 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.45 -179.58 7.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 162.08 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 62.3 m -91.93 23.99 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.46 59.25 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 1.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.7 OUTLIER -104.08 149.58 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 1.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 50.5 m -36.69 126.28 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 1.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . 99.06 -36.15 4.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -94.1 -148.26 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.319 -0.993 . . . . 1.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CE1' HG13 ' A' ' 67' ' ' VAL . 16.9 m-70 -66.42 58.5 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.755 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -87.4 -8.3 56.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.03 111.05 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.63 16.65 20.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -55.96 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.15 161.93 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -41.2 4.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -109.65 150.41 28.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.74 153.7 8.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 3.22 15.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 1.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.49 -5.55 26.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.34 142.86 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -84.88 -28.93 25.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -71.85 -42.87 66.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.819 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 42.3 t80 -65.24 -7.48 13.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.894 -0.574 . . . . 1.0 109.815 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.601 HG13 ' CE1' ' A' ' 52' ' ' HIS . 8.2 m -115.85 47.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.472 HG13 ' CE1' ' A' ' 69' ' ' HIS . 3.5 t -160.48 -50.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.472 ' CE1' HG13 ' A' ' 68' ' ' VAL . 3.1 m80 -98.94 4.87 47.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.795 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -73.43 95.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.17 -14.54 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.81 -156.93 1.09 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 1.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -90.44 134.54 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' A' ' 78' ' ' SER . 1.7 mt -139.68 -167.68 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -92.76 -34.52 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 52.2 m-70 -115.92 -172.53 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 m -98.32 125.05 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 50.8 m -89.35 169.4 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.44 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -66.62 -66.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 1.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 2.0 mt -46.11 -23.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.83 -50.91 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.22 30.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.583 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.9 m170 -129.31 -50.06 1.19 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.742 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -72.99 -24.75 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 32.1 mttt -88.96 -35.09 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.11 -46.81 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 m -58.96 -21.76 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.9 -36.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 -38.15 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -124.57 85.15 56.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.84 8.86 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.299 3.333 . . . . 1.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -5.02 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 1.0 110.334 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 97' ' ' LEU . 79.4 mt -113.26 -3.45 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 98' ' ' THR . 3.6 tttm -47.53 -54.05 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 1.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -25.16 11.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -95.07 -37.21 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.65 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -114.41 55.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 1.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.01 -27.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.395 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.08 127.7 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.8 m -75.92 -47.63 24.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.39 135.83 49.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt 68.42 53.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 1.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 p -125.67 163.55 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -59.91 -16.82 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 74.0 m -92.14 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.21 111.32 49.71 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.773 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.312 3.341 . . . . 1.0 109.589 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.776 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.093 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.419 ' HG3' ' CB ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.2 171.81 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.297 3.331 . . . . 1.0 109.596 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.87 118.02 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -40.16 121.33 1.6 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 75.6 Cg_exo -53.52 139.38 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.298 3.332 . . . . 1.0 109.637 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.64 -77.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.26 133.18 61.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.22 141.74 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.288 3.325 . . . . 1.0 109.625 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.0 m -111.64 141.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.326 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 4.4 mm-40 -91.93 129.84 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -102.67 68.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -47.82 147.23 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.51 -134.5 3.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.9 p -72.76 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 1.0 109.966 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -148.72 32.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -154.74 155.85 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.1 m -125.88 132.21 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.52 115.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -142.21 110.9 5.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.492 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 45.2 Cg_endo -83.19 128.49 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.343 3.362 . . . . 1.0 109.629 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.36 -40.16 21.75 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.195 0.934 . . . . 1.0 109.806 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.648 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.48 -69.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 79.0 Cg_exo -34.15 -42.09 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.364 3.376 . . . . 1.0 109.538 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -95.44 50.58 1.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 124.117 0.886 . . . . 1.0 109.766 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.7 pt-20 -107.24 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -143.01 -47.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 9.1 t -60.29 143.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CG ' ' OG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -45.0 171.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -100.6 22.38 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 1.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.43 -40.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.462 ' OG1' ' CG ' ' A' ' 29' ' ' GLU . 2.4 m -42.03 -48.67 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -86.77 -56.6 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 108.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -86.52 76.49 9.58 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.727 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 5.8 p80 -64.92 155.09 35.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.126 0.891 . . . . 1.0 109.769 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.1 mt -76.67 150.99 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.43 97.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 1.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.55 49.89 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.85 35.34 82.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.4 127.55 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.12 140.5 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -151.61 162.91 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.7 m-85 -157.29 42.89 0.33 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.81 175.02 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.18 158.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 58.3 m -88.26 27.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 1.0 108.266 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.51 56.83 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 1.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.4 m -101.69 148.07 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 1.0 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -36.23 127.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 109.981 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.99 -36.51 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -90.66 -148.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 17.4 m-70 -66.18 59.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.735 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -70.76 -43.19 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 1.0 109.278 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 17.6 t70 -61.13 130.26 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mt -125.93 11.83 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -116.77 -58.17 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.511 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -42.7 149.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 66' ' ' TYR . 2.9 mttt -86.53 -72.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.25 152.04 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.27 140.39 4.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 1.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.23 -0.98 21.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 1.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -105.15 4.53 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.557 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -97.06 145.15 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 110.0 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.3 tp -87.17 -31.29 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 45.3 t80 -68.42 -42.04 79.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 26.4 t80 -64.84 -4.01 3.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.881 -0.58 . . . . 1.0 109.784 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 63' ' ' SER . 1.1 m -109.06 19.42 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.587 HG11 ' CE1' ' A' ' 69' ' ' HIS . 45.3 t -139.87 -49.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.587 ' CE1' HG11 ' A' ' 68' ' ' VAL . 1.4 m80 -101.96 39.52 1.46 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -114.91 97.07 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -92.28 -8.68 44.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.7 -158.17 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.151 . . . . 1.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 136.53 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 mt -140.07 -170.11 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -89.92 -17.5 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.444 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 29.7 m80 -139.54 -172.5 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.661 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -94.26 136.82 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.45 173.0 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' C ' ' N ' ' A' ' 81' ' ' ALA . 3.5 m -75.96 -70.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.68 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -68.92 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 39.3 t -53.37 -48.1 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 108.341 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 25.9 m170 -48.5 -50.94 29.7 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.739 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -45.32 71.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 1.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 12.8 mttp -68.81 -31.84 71.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.8 t -64.8 -61.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.39 -21.14 3.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.5 -35.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.21 -36.53 12.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -121.41 93.26 48.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.04 11.48 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.346 . . . . 1.0 109.601 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -98.4 -6.13 31.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 1.0 110.353 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.8 mt -112.87 0.65 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -29.88 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 11.64 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.3 m-20 -128.45 -44.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -104.06 49.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 162.74 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.432 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.3 129.67 28.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -78.84 -50.24 11.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.55 130.5 54.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 67.36 57.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.6 p -126.01 164.23 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 1.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.71 43.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.15 -70.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 108.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -87.62 112.7 50.3 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.771 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 122.094 0.95 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ALA . 51.2 Cg_exo -48.0 176.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.275 3.317 . . . . 1.0 109.611 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' VAL . . . -83.97 118.94 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.362 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' ALA . 5.4 p -38.69 127.99 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -56.82 135.12 68.83 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.346 3.364 . . . . 1.0 109.605 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -65.38 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 125.26 87.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -35.49 137.02 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.363 3.376 . . . . 1.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -112.83 138.32 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 147.24 26.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -113.6 60.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -46.11 139.58 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.27 -126.41 2.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 p -71.25 -57.96 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 1.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.88 30.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -139.71 145.8 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 1.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -119.26 124.91 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 1.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.62 121.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.42 153.92 40.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 46.6 t80 -143.78 95.19 5.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 1.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 11.6 Cg_exo -70.48 122.5 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.31 3.34 . . . . 1.0 109.611 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -75.3 -23.21 57.32 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.135 0.897 . . . . 1.0 109.755 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.654 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.79 -67.69 0.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -43.4 -52.64 4.89 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.305 3.337 . . . . 1.0 109.621 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -85.8 54.03 2.98 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.209 0.943 . . . . 1.0 109.74 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.0 mt-10 -95.36 -27.43 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -84.99 -43.63 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.63 123.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.92 151.43 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -73.63 -29.92 62.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 108.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 32' ' ' THR . 2.5 p -67.9 -25.13 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.416 ' N ' HG11 ' A' ' 31' ' ' VAL . 55.0 m -63.29 -41.58 98.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.4 m -97.53 -56.37 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.254 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -79.96 61.75 3.95 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.752 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.8 p80 -42.73 164.98 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.101 0.876 . . . . 1.0 109.75 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -113.13 133.33 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' GLY . 2.5 t -109.95 149.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 42.08 28.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 1.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 56.35 40.4 85.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.145 . . . . 1.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.0 mttm -128.63 84.62 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LYS . 27.5 tt0 -36.59 134.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.66 170.3 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' SER . 46.0 m-85 -153.95 48.91 0.64 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.812 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.82 177.82 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 161.57 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 55.8 m -93.5 25.12 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.22 57.77 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.2 m -103.44 145.86 29.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 0.777 . . . . 1.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.4 m -36.63 126.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 1.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.2 3.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -90.37 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.016 . . . . 1.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 32.0 m-70 -65.71 60.61 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -81.73 -10.86 59.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -92.6 111.69 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -102.79 -37.02 8.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.5 m -63.88 -60.88 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.48 158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -65.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 1.3 mmtp -94.42 164.81 12.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.96 147.75 8.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 1.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.52 -5.33 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 1.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 8.43 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.02 137.63 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 1.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.9 tp -82.29 -27.25 32.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.806 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 17.4 t80 -78.15 -42.98 30.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 36.1 t80 -59.72 -13.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.878 -0.582 . . . . 1.0 109.814 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.528 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 30.9 m -115.84 48.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 41.1 t -160.4 -50.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.806 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 50.6 m80 -91.57 -44.93 8.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.774 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -35.49 111.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.08 0.07 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.02 -158.66 13.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.47 -168.72 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -84.82 -24.79 28.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 67.0 m-70 -130.42 -172.6 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.605 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.93 122.84 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -84.42 171.96 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' LEU . 1.5 m -69.0 -73.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' CYS . 2.7 mp -40.42 -33.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.9 t -53.66 -61.36 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -36.45 -49.49 0.73 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.751 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 87' ' ' VAL . 9.8 t -55.87 -49.26 73.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 13.4 mttp -65.81 -32.83 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 88' ' ' ALA . 2.7 t -66.63 -66.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 84' ' ' SER . 16.3 m -50.41 -22.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.44 -36.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.66 -40.92 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.9 91.57 39.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.41 7.29 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.26 3.306 . . . . 1.0 109.642 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.85 -3.69 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 1.0 110.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.3 mt -114.62 0.04 13.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 98' ' ' THR . 4.4 ttpt -58.05 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.04 -19.79 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.526 ' CB ' HD23 ' A' ' 97' ' ' LEU . 7.9 m-20 -101.29 -42.27 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.58 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -105.79 53.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.92 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 110.444 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -53.33 128.23 38.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 47.5 m -76.95 -49.37 15.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.75 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 51.49 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 62.3 p -122.7 164.12 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 1.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.09 21.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.66 -72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -83.55 113.55 47.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 N--CA 1.448 -1.196 0 C-N-CA 124.276 3.317 . . . . 1.0 109.565 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.782 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 122.102 0.953 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.524 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.3 Cg_endo -48.66 173.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.374 3.383 . . . . 1.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.85 136.9 33.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 1.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.5 p -60.81 122.79 71.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 53.8 Cg_exo -56.02 138.11 81.38 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.338 3.359 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.42 -67.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 22.6 pttt -56.63 125.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -36.33 123.62 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.36 3.374 . . . . 1.0 109.559 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.7 144.17 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.312 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.62 140.83 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.27 64.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.24 144.64 3.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 -124.66 2.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 1.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -78.86 -50.9 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 1.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.26 27.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -137.41 154.52 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 m -128.49 128.06 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -129.18 122.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.62 150.91 41.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 46.1 t80 -141.9 93.23 7.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 8.2 Cg_exo -72.12 120.0 6.53 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 1.0 109.62 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CE1' ' HE2' ' A' ' 20' ' ' PHE . 5.9 m80 -70.8 -25.46 62.87 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.178 0.924 . . . . 1.0 109.789 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.66 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -46.43 -67.05 0.42 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.66 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 52.6 Cg_exo -44.32 -41.21 13.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 1.0 109.585 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -99.78 54.18 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.132 0.895 . . . . 1.0 109.706 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.56 39.89 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -46.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.73 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.62 156.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.4 m -75.81 -28.63 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.09 -24.18 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -62.55 -50.98 69.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 1.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -91.33 -54.6 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.0 108.276 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.7 m-70 -80.27 78.93 6.91 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.769 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.7 p80 -63.05 155.34 28.0 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.134 0.896 . . . . 1.0 109.77 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.4 mt -74.3 146.32 43.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.2 104.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.34 43.7 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 1.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 36.72 93.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -142.78 124.45 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -52.1 139.75 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -150.16 160.72 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 1.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 48.9 m-85 -156.44 45.94 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.83 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.64 174.62 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.63 159.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 57.0 m -94.86 24.23 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 1.0 108.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.17 57.91 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.572 1.17 . . . . 1.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.69 152.99 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 1.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -42.79 124.74 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.14 -36.52 4.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 1.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -92.01 -146.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 33.4 m-70 -65.77 60.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -69.24 -38.15 78.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.314 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.2 t0 -72.97 124.96 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.35 4.96 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -103.3 -54.17 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 1.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.4 151.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -32.01 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.63 146.17 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 1.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.7 144.32 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 1.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.31 -1.95 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 1.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.75 7.08 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.598 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -99.36 147.6 25.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.157 . . . . 1.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.2 tp -91.51 -24.82 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 49.7 t80 -76.21 -39.85 53.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.796 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 31.4 t80 -67.58 -1.86 5.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.956 -0.545 . . . . 1.0 109.832 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.638 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 1.5 m -114.37 17.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.438 HG11 ' CE1' ' A' ' 69' ' ' HIS . 38.4 t -135.21 -49.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 1.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 1.8 m80 -102.4 38.48 1.68 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.756 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.29 99.56 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -8.15 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 1.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.21 -159.28 10.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 1.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.02 136.46 33.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 1.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -141.05 -169.13 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -22.86 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 60.3 m-70 -134.85 -174.15 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.3 m -96.22 128.97 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.9 m -91.63 169.05 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -67.86 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 1.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -49.05 -22.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -74.56 -49.39 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 35.9 t -92.49 30.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.5 m170 -130.34 -51.88 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.047 -0.979 . . . . 1.0 109.769 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.9 p -69.39 -27.28 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.024 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 23.2 mttt -89.37 -30.67 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -61.05 -40.95 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 1.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.4 m -63.97 -20.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.66 -38.02 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.34 -26.92 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.93 84.1 54.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.5 8.84 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.309 3.34 . . . . 1.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -5.43 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 1.0 110.334 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.79 1.29 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.0 OUTLIER -56.37 -18.16 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -109.42 37.62 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -155.84 -44.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -99.41 24.04 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -162.23 -43.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -36.61 127.59 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 1.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.41 -43.55 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.22 135.29 54.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.11 51.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 10.1 p -121.28 165.15 15.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 1.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -20.69 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m -96.12 -71.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 1.0 108.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.5 111.36 41.09 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.777 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 47.0 Cg_exo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.282 3.321 . . . . 1.0 109.614 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.784 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.055 0.931 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.26 169.47 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 124.243 3.295 . . . . 1.0 109.64 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.91 131.7 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -63.18 122.35 74.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 74.6 Cg_exo -53.97 138.72 70.22 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.322 3.348 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 -60.45 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 138.72 80.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.55 139.02 7.42 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.305 3.337 . . . . 1.0 109.59 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -108.73 139.06 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 1.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -82.14 126.9 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.9 t -96.88 57.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 1.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -43.88 140.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.73 -129.7 2.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 1.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 p -71.54 -58.9 3.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 1.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.33 35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -147.22 149.1 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -123.34 127.45 48.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.79 106.59 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.41 ' O ' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptt? -63.54 138.63 58.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.74 122.08 16.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.506 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -87.61 140.1 5.1 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.347 3.365 . . . . 1.0 109.586 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.39 -39.52 13.35 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.141 0.901 . . . . 1.0 109.739 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.68 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.59 -71.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 77.3 Cg_exo -37.49 -34.01 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.346 3.364 . . . . 1.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -104.05 49.73 0.81 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.141 0.901 . . . . 1.0 109.751 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 5.1 tt0 -111.04 42.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.238 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.8 t -60.62 134.78 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' VAL . 5.8 mt-10 -39.24 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.73 10.46 20.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.84 -5.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -44.42 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -93.88 -59.27 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 108.342 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -78.95 81.17 5.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.786 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.592 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 11.6 p80 -71.48 149.8 45.48 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.154 0.909 . . . . 1.0 109.766 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.85 152.52 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.4 101.27 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t0 58.18 43.25 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.91 88.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 1.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -138.06 118.74 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 1.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -44.92 134.34 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -153.79 160.73 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 110.037 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 42' ' ' SER . 34.7 m-85 -155.07 30.26 0.4 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.845 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.93 -177.32 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -66.12 144.32 56.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 85.2 m -61.49 -32.83 72.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.47 57.62 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 1.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.5 m -93.89 139.86 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 1.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . 8.2 t -37.97 119.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.44 -32.05 7.32 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -97.47 -142.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CE1' HG12 ' A' ' 67' ' ' VAL . 43.4 m-70 -64.4 62.05 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.79 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -68.56 -50.27 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 122.9 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -116.01 7.49 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -107.97 -60.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.02 146.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -28.9 12.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 140.68 47.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.4 141.78 5.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -1.41 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 1.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.65 7.78 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.61 141.36 32.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 1.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 68.2 tp -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 36.8 t80 -78.59 -41.7 31.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 22.3 t80 -66.03 -7.59 18.21 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.951 -0.547 . . . . 1.0 109.829 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' CE1' ' A' ' 52' ' ' HIS . 10.7 m -111.87 35.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 91.9 t -156.87 -47.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.8 m80 -101.08 26.96 6.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -97.94 108.77 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -92.28 -32.66 14.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -56.57 -160.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.44 1.087 . . . . 1.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 tt0 -100.99 142.14 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 1.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.52 HD22 ' CZ ' ' A' ' 66' ' ' TYR . 2.0 mt -143.41 -171.81 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -26.01 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.592 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -131.93 -167.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 109.612 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.56 124.29 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 1.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -74.5 176.3 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 110.014 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 78' ' ' SER . 3.3 m -76.65 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.93 -22.39 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.55 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.95 -57.4 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.0 108.265 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 62.7 m170 -39.62 -51.21 2.27 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.788 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -52.89 43.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.2 mtpt -64.04 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.74 -59.01 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.57 -19.11 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.6 -40.58 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.28 -43.51 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 89' ' ' GLU . 2.1 mmmt -117.17 95.26 46.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.65 15.56 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.325 3.35 . . . . 1.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.69 -7.55 25.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASP . 61.2 mt -109.02 -1.06 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 4.2 ttmt -54.26 -27.57 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.7 15.3 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' LEU . 79.6 m-20 -134.65 -44.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.529 ' O ' ' CG2' ' A' ' 98' ' ' THR . 3.6 mm? -96.21 30.59 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.4 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.39 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.36 130.75 0.92 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.442 1.089 . . . . 1.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.4 m -81.34 -45.54 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.67 131.53 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.1 mttt 67.1 51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 12.9 p -119.65 163.24 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 1.0 110.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -55.27 -22.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -92.44 -74.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.92 112.19 43.4 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.7 Cg_exo . . . . . 0 N--CA 1.447 -1.24 0 C-N-CA 124.301 3.334 . . . . 1.0 109.631 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -51.14 172.27 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.351 3.368 . . . . 1.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.11 117.9 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.0 109.311 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.2 p -40.1 127.38 1.66 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 50.2 Cg_exo -58.12 145.18 93.45 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.331 . . . . 1.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -69.71 135.12 88.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.28 149.19 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 1.0 109.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.05 143.88 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -88.45 137.94 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.6 t -104.49 59.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 143.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.4 -123.46 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 p -74.71 -55.58 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 1.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.84 24.31 0.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -132.68 157.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -135.08 108.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 1.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 118.61 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmt -70.43 149.85 46.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -140.87 118.41 7.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 44.8 Cg_endo -86.25 128.68 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.284 3.323 . . . . 1.0 109.583 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.62 -33.9 25.21 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.14 0.9 . . . . 1.0 109.751 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.68 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -44.78 -71.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 60.5 Cg_exo -38.19 -31.66 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -104.07 51.07 0.78 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.159 0.912 . . . . 1.0 109.748 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -110.87 40.22 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.35 -46.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.3 t -60.29 143.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' VAL . 6.4 mt-10 -46.1 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 t -102.01 10.04 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 108.319 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -3.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.0 m -72.59 -45.78 57.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 1.0 110.386 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.0 m -94.53 -58.44 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.7 73.52 3.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.784 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 7.2 p80 -58.57 154.4 14.33 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.221 0.951 . . . . 1.0 109.75 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.01 151.0 31.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.6 97.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 58.7 51.61 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.48 42.29 75.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 1.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.28 111.19 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 1.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.9 tt0 -53.25 140.36 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.06 164.3 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 42' ' ' SER . 50.0 m-85 -155.5 30.96 0.38 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.798 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.15 177.11 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -59.29 141.51 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 75.2 m -61.36 -32.02 71.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 1.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -113.67 57.86 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 1.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.9 m -94.38 143.69 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' SER . 53.4 p -38.39 125.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.28 -38.95 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 1.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.3 m -89.84 -142.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.566 ' CE1' HG12 ' A' ' 67' ' ' VAL . 38.7 m-70 -65.38 59.16 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.781 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.35 -49.38 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.64 120.77 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -116.24 3.27 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ALA . 92.3 m -102.65 -58.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' THR . . . -39.22 157.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -94.26 -58.83 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -102.43 156.66 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.28 139.88 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -4.8 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 1.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -109.34 9.9 25.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.43 138.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.953 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 49.4 tp -80.54 -35.59 34.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.69 -43.53 93.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.816 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 18.7 t80 -61.82 -15.96 46.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 52' ' ' HIS . 16.2 m -112.81 43.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 39.6 t -152.03 -49.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 3.7 m80 -110.17 40.97 1.83 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.779 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -108.2 114.87 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -106.73 1.79 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.5 -162.2 34.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 13.2 pt-20 -97.56 137.01 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -140.94 -167.45 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -79.26 -23.61 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 78.0 m-70 -137.1 -177.91 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -80.96 129.51 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -69.36 179.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.977 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 68' ' ' VAL . 40.8 t -83.12 -62.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.44 -8.91 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.06 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.03 34.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 1.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.624 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 1.6 m-70 -141.13 -43.79 0.38 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.5 t -73.54 -19.25 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 1.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.7 mttp -99.62 -38.31 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.67 -38.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.89 -23.69 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.48 -32.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 1.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -122.88 85.8 50.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.08 5.51 2.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.302 3.335 . . . . 1.0 109.591 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 -4.24 38.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 21.6 mt -112.45 -1.04 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -54.93 -30.56 58.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.98 36.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -155.86 -43.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.624 ' CD1' ' CE1' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -102.69 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.09 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -47.26 131.0 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.556 1.16 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.3 -51.26 11.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 132.39 53.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 mttm 65.49 58.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 30.3 p -126.34 165.2 19.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -58.19 -16.98 15.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 56.6 m -96.4 -73.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.94 113.71 47.47 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.704 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.269 3.313 . . . . 1.0 109.593 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.99 178.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.91 117.63 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -39.85 127.74 1.55 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 54.7 Cg_exo -56.39 138.08 82.61 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.322 3.348 . . . . 1.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.03 16.83 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 122.37 15.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -37.68 117.63 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.76 141.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -92.49 130.64 38.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.81 67.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -51.6 139.03 21.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.35 -130.66 3.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 1.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -69.5 -55.46 10.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 1.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -160.11 26.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -136.46 152.01 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -124.54 133.59 53.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.5 108.47 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -66.82 139.73 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -128.83 120.19 20.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.545 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -88.74 134.08 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.592 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.65 -38.41 19.87 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.124 0.89 . . . . 1.0 109.759 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.648 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -42.79 -68.86 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 1.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.648 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 76.0 Cg_exo -41.47 -33.13 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.316 3.344 . . . . 1.0 109.597 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -107.56 50.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.067 0.854 . . . . 1.0 109.8 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 3.7 tm-20 -112.45 42.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.329 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -143.01 -45.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 1.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 45.3 t -58.59 136.8 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 3.4 mt-10 -38.6 158.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.9 11.36 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 1.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.13 -2.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -76.83 -45.16 29.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.85 -60.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 1.0 108.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.12 74.29 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.724 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.5 p80 -61.68 148.15 43.61 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.156 0.91 . . . . 1.0 109.808 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.23 150.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.413 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 1.8 t -111.68 95.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.65 51.02 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.37 94.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.87 119.14 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 1.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -50.31 138.14 17.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.35 161.5 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.5 m-85 -157.88 37.85 0.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.828 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.54 173.18 9.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.63 153.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 23.3 m -83.84 32.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -170.51 55.74 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -102.6 145.47 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 1.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -38.68 121.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -40.08 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.1 m -87.78 -143.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 28.2 m-70 -66.07 58.41 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.807 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -68.8 -44.6 73.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -65.27 121.63 15.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.65 0.84 14.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.102 . . . . 1.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.1 m -97.82 -58.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.49 152.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.34 -41.47 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 147.22 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.22 141.07 4.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 1.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -72.09 -5.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 1.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -106.78 8.04 30.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.12 141.97 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 1.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.2 tp -82.39 -28.73 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.09 -40.79 74.76 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -59.88 -12.35 7.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.921 -0.561 . . . . 1.0 109.821 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.7 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -119.88 54.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.583 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 5.2 t -165.36 -47.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.583 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 8.6 m80 -112.89 29.38 8.02 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.755 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.8 113.39 26.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.315 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -107.0 4.43 27.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 1.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.57 -158.03 31.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 136.22 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 1.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -139.99 -168.38 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -83.68 -20.92 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 48.5 m-70 -130.54 -171.9 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 126.19 48.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 1.5 m -89.5 170.41 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.27 -67.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 68' ' ' VAL . 3.3 mm? -46.0 -31.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -65.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 45.4 t -53.85 -65.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' CYS . 63.6 m170 -34.32 -53.77 0.51 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.785 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -52.4 -50.44 62.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.007 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 82' ' ' CYS . 91.2 mttt -66.02 -31.21 71.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.58 -63.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 84' ' ' SER . 19.3 m -52.98 -20.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.06 -30.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.26 -34.47 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.52 85.91 48.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 4.54 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.341 3.361 . . . . 1.0 109.609 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -10.94 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.48 -3.21 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.501 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.1 OUTLIER -55.24 -18.71 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 28.67 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.07 -44.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -92.82 18.56 8.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -165.36 -41.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -29.3 128.33 0.1 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 1.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -77.91 -45.09 25.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.38 139.6 49.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.83 45.99 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -114.55 166.01 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.21 -18.79 17.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.44 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.2 m -96.07 -67.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 108.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -94.2 108.96 39.51 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.757 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 42.6 Cg_exo . . . . . 0 N--CA 1.447 -1.247 0 C-N-CA 124.326 3.351 . . . . 1.0 109.583 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.777 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 122.041 0.924 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.35 171.94 14.16 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.272 3.315 . . . . 1.0 109.582 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.62 126.6 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.12 121.96 59.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 52.4 Cg_exo -58.98 136.98 77.11 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.365 3.377 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.14 -61.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.16 119.89 68.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -35.97 136.65 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.582 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.35 139.67 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 129.84 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 1.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.28 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -42.35 131.43 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.14 -140.73 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 1.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -56.61 -29.9 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 1.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -172.06 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 164.73 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -134.95 118.55 16.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.2 112.29 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' MET . 8.7 ptm -69.55 143.54 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 1.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -130.49 117.29 17.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.518 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.1 Cg_endo -88.34 133.53 2.8 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.303 3.335 . . . . 1.0 109.598 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 1.8 m80 -86.29 -38.47 17.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.107 0.879 . . . . 1.0 109.782 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.67 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.62 -70.8 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.67 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 76.4 Cg_exo -37.68 -31.28 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.328 3.352 . . . . 1.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 71.6 m80 -105.32 50.72 0.77 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.165 0.916 . . . . 1.0 109.726 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.6 tt0 -107.95 43.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.54 -46.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.21 123.28 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -39.38 155.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.3 m -74.76 -29.42 61.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.3 -31.82 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.4 m -54.05 -50.1 67.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.12 -51.02 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.8 m-70 -87.55 71.99 9.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.813 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 2.4 p80 -52.81 172.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.107 0.879 . . . . 1.0 109.801 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.55 136.46 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.8 t -113.62 136.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 45.86 39.3 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.47 30.61 41.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -120.4 84.36 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -37.76 136.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -138.31 165.36 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 109.966 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 31.3 m-85 -154.89 32.76 0.4 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.04 173.84 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.14 159.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 69.4 m -93.28 21.8 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.331 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.03 59.35 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -99.7 163.75 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 1.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.8 p -49.54 122.92 6.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -35.31 4.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.6 m -90.77 -149.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.611 ' CE1' HG13 ' A' ' 67' ' ' VAL . 14.7 m-70 -65.62 60.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.761 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -75.2 -51.01 14.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 5.3 t70 -46.7 128.1 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 11.2 mt -119.5 10.44 11.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -59.26 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -44.93 137.32 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -34.53 14.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -111.44 143.02 42.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.41 146.95 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.86 3.43 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 1.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.417 ' C ' ' HA ' ' A' ' 52' ' ' HIS . 9.0 mtpt -106.76 7.42 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -102.03 141.86 34.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' HG21 ' A' ' 67' ' ' VAL . 62.8 tp -82.64 -12.56 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -85.8 -43.13 13.58 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.837 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 8.6 t80 -60.76 -12.63 11.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.611 HG13 ' CE1' ' A' ' 52' ' ' HIS . 3.5 m -112.1 46.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 69' ' ' HIS . 16.9 t -160.77 -48.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.569 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.8 m80 -107.89 29.38 7.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.77 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -98.5 97.97 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -94.88 -9.02 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.4 -157.34 8.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 1.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.29 138.75 31.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 5.4 mt -143.09 -171.63 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -18.01 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.3 m80 -135.53 -175.93 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 1.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m -93.51 131.93 38.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 170.45 9.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -74.15 -71.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 108.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 1.4 tp -47.2 -23.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -70.06 -67.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.4 t -49.14 -57.81 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 108.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -39.91 -38.88 0.75 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.759 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -58.44 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 110.005 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 88' ' ' ALA . 36.2 t -64.89 -65.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 90' ' ' LYS . 35.8 m -47.34 -24.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.96 -33.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -92.58 -36.09 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' VAL . 1.8 mtmm -124.25 85.58 55.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.37 3.67 3.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.277 3.318 . . . . 1.0 109.577 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -2.77 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.8 mt -116.14 2.23 13.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -37.11 85.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -10.64 49.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 6.3 m-20 -112.53 -33.33 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.559 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.21 49.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.37 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.427 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.72 131.27 31.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.5 -51.14 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.87 132.83 53.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.3 mttp 67.99 52.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 51.7 p -123.04 164.4 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.43 -31.5 61.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -95.76 109.19 44.86 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.76 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.448 -1.182 0 C-N-CA 124.3 3.333 . . . . 1.0 109.615 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 122.114 0.959 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 43' ' ' TYR . 12.2 Cg_endo -51.52 171.79 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.314 3.342 . . . . 1.0 109.567 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.19 124.1 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.52 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 p -58.87 129.68 85.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . 0.52 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 61.7 Cg_exo -56.05 137.34 78.94 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.339 3.359 . . . . 1.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -70.34 126.77 92.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -35.57 139.1 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.304 3.336 . . . . 1.0 109.567 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.11 140.83 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -84.18 142.36 30.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 69.6 t -111.45 52.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -39.71 145.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.13 -126.63 2.23 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.1 p -69.09 -57.18 5.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.766 . . . . 1.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.9 25.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 1.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.13 145.17 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m -122.14 113.84 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.5 t -117.05 119.65 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -74.65 150.94 39.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -134.48 118.26 13.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.543 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 37.8 Cg_endo -88.83 130.05 2.15 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.28 3.32 . . . . 1.0 109.625 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 4.5 m80 -84.05 -29.74 26.62 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.121 0.888 . . . . 1.0 109.789 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.632 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.2 -64.41 1.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.632 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 95.2 Cg_exo -41.51 -53.14 3.36 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -89.95 52.53 2.31 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.128 0.892 . . . . 1.0 109.76 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -30.96 18.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -39.13 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.84 124.66 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -55.17 161.61 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.4 m -82.64 -29.47 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.23 -23.55 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.5 m -66.84 -44.77 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.5 m -94.64 -56.4 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.2 m-70 -79.99 69.8 6.44 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.697 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.1 p80 -56.04 143.06 33.92 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.123 0.889 . . . . 1.0 109.783 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.35 150.19 46.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.51 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 54.87 46.45 24.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.31 35.54 88.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 1.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 138.17 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 1.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 42' ' ' SER . 8.0 tt0 -59.87 140.73 56.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -156.04 171.6 19.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 1.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.6 m-85 -155.09 -72.65 0.12 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.798 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 33.8 -148.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 170.06 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 59.5 m -89.99 22.48 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.9 59.27 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.1 m -104.42 145.68 29.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 1.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 74.7 p -37.58 125.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 1.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -39.52 2.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 1.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -91.33 -143.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.58 ' CE1' HG11 ' A' ' 67' ' ' VAL . 28.8 m-70 -65.19 61.06 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.75 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -75.43 -41.87 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 13.7 t0 -63.89 116.32 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 3.5 mt -105.88 -34.36 7.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.5 m -63.94 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 1.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -41.91 157.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -71.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -83.45 169.7 15.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.33 141.95 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 1.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.74 -6.92 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -110.55 14.14 22.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.58 142.14 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.53 -31.97 32.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -69.13 -44.44 72.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 16.1 t80 -59.46 -18.42 39.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.862 -0.59 . . . . 1.0 109.809 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.58 HG11 ' CE1' ' A' ' 52' ' ' HIS . 27.7 m -110.41 48.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 18.4 t -161.32 -49.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 3.9 m80 -109.2 35.14 3.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.727 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -107.83 103.47 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -93.48 -8.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.15 -159.83 9.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -94.42 137.16 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 1.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.623 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.1 mt -140.78 -171.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -79.7 -26.45 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 63.9 m-70 -128.49 -172.2 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.575 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -98.18 125.88 43.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.396 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.75 170.81 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.58 -68.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 108.268 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mp -46.36 -32.48 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.2 -66.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.9 t -53.7 -49.07 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 1.0 108.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 86' ' ' VAL . 44.6 m170 -49.26 -59.8 3.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.781 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -46.27 -38.12 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -73.99 -32.68 63.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.501 HG13 ' CD1' ' A' ' 97' ' ' LEU . 78.6 t -64.77 -59.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 1.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 94' ' ' LYS . 20.9 m -53.87 -21.94 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.98 -33.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.74 -42.56 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -112.98 93.39 24.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.83 8.47 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 1.0 109.572 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -3.64 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.279 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.06 4.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CD ' ' OG1' ' A' ' 98' ' ' THR . 0.7 OUTLIER -61.93 -27.61 68.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -90.79 16.34 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.42 -44.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.501 ' CD1' HG13 ' A' ' 86' ' ' VAL . 36.1 mt -78.55 -40.71 34.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 94' ' ' LYS . 30.9 p -118.05 -17.76 9.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -35.74 128.52 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 1.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.3 m -84.73 -51.37 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.58 134.11 50.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.4 49.14 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 3.9 p -114.33 165.83 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -57.84 -19.85 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.467 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -94.95 -72.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 1.0 108.327 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 97.5 m-70 -85.38 110.4 28.87 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 19.2 Cg_exo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.774 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 122.087 0.946 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.56 171.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.293 3.329 . . . . 1.0 109.622 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.33 126.79 32.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.47 129.23 61.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -57.15 149.74 61.52 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.338 3.359 . . . . 1.0 109.601 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.54 -73.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 125.43 59.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -35.28 118.67 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 29.8 m -92.01 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -102.54 144.37 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.7 t -112.03 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -43.46 144.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.02 -128.18 2.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 1.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 p -71.89 -55.94 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 1.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.32 26.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -135.4 157.13 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -129.13 125.62 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG13 ' SG ' ' A' ' 105' ' ' CYS . 25.6 t -126.57 121.22 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.45 151.28 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -138.75 115.26 8.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.484 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.6 Cg_endo -83.48 131.79 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.315 3.343 . . . . 1.0 109.627 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -87.83 -38.11 15.97 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.077 0.861 . . . . 1.0 109.747 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.607 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -44.53 -65.56 0.6 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.607 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 82.7 Cg_exo -38.46 -50.62 2.3 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.316 3.344 . . . . 1.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -89.02 50.94 2.04 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.178 0.924 . . . . 1.0 109.795 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -89.21 -28.43 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -39.99 28.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 77.1 t -52.71 129.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 7.4 mt-10 -45.88 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.92 -0.57 36.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 1.0 108.209 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.91 0.43 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.3 m -78.72 -43.66 25.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 1.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.24 -61.19 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 108.362 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.57 74.26 1.47 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.795 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -67.1 134.79 52.51 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.19 0.931 . . . . 1.0 109.773 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.6 mt -47.4 146.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 37' ' ' VAL . 2.2 t -98.73 87.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 63.28 43.5 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.7 31.64 70.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 1.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -138.21 120.69 16.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 1.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.68 134.97 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -152.25 164.99 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.0 110.007 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 70.4 m-85 -158.19 35.04 0.24 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.878 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.04 175.77 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 161.73 6.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 42.4 m -87.76 29.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 1.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.44 55.9 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 1.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -101.84 145.57 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 1.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' SER . 59.9 p -37.94 124.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.26 -37.54 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 1.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -90.76 -145.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.002 . . . . 1.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 34.4 m-70 -65.35 59.56 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.723 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -70.52 -41.45 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 14.1 t0 -68.66 119.77 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 1.04 13.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.6 m -100.42 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.05 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -83.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.84 168.28 20.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.42 137.59 5.55 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -5.61 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 1.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.62 6.92 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.25 140.48 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.947 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 55.2 tp -83.99 -22.44 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -77.2 -41.62 40.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.846 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 23.4 t80 -67.8 -4.28 12.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.932 -0.556 . . . . 1.0 109.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.495 ' CG2' ' HA ' ' A' ' 64' ' ' LEU . 6.0 m -116.07 29.06 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.553 HG13 ' CE1' ' A' ' 69' ' ' HIS . 5.6 t -143.84 -50.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' HG13 ' A' ' 68' ' ' VAL . 3.5 m80 -104.05 28.71 6.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.786 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -101.55 90.93 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -88.16 -17.15 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.2 -156.87 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 1.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.44 135.41 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 3.9 mt -143.31 -170.22 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -91.35 -23.33 20.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -127.53 -169.51 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 m -103.71 121.41 42.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 49.4 m -85.03 168.53 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 1.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.429 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -67.59 -67.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 108.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 6.2 mp -44.98 -25.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -69.92 -50.98 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 t -93.61 31.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.4 m170 -131.67 -51.47 0.99 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.735 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.3 p -67.84 -25.29 65.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.2 mptp? -90.76 -33.33 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.71 -44.14 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.26 -22.47 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.34 -34.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.78 -41.85 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -122.48 86.14 48.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.91 1.94 4.07 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.341 3.361 . . . . 1.0 109.62 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -3.75 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 1.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.58 0.63 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 1.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.445 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.38 -25.74 37.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.444 ' CE ' ' O ' ' A' ' 101' ' ' ALA . 10.4 tptm -99.71 38.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 1.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.38 -50.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.2 -37.6 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.237 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -111.29 -49.47 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 1.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -19.72 128.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 1.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 9.5 m -83.1 -53.49 5.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.444 ' O ' ' CE ' ' A' ' 95' ' ' LYS . . . -95.41 137.91 33.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.75 57.64 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.7 p -124.71 165.4 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 1.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -58.92 -28.92 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.4 ' SG ' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.77 -77.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.326 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 94.7 m-70 -82.03 141.69 47.27 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.739 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.308 3.339 . . . . 1.0 109.581 179.889 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.779 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.482 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.7 Cg_endo -48.77 168.22 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.293 3.329 . . . . 1.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 132.99 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.36 125.99 86.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -53.23 138.68 63.95 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.302 3.334 . . . . 1.0 109.613 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.8 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -67.72 131.46 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.3 140.71 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.248 3.298 . . . . 1.0 109.566 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.46 141.44 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 3.0 mm-40 -90.42 135.2 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.8 t -102.89 63.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -40.68 143.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.81 -123.4 2.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 1.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -85.85 -54.9 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 1.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.78 36.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -155.52 160.78 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -131.04 121.87 25.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 110.411 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.69 115.05 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -64.67 148.98 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -138.43 109.46 8.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.467 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 Cg_endo -81.34 124.54 4.81 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.309 3.34 . . . . 1.0 109.576 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.27 -37.97 36.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.129 0.893 . . . . 1.0 109.744 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.644 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -43.2 -69.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 1.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.644 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 87.4 Cg_exo -33.99 -39.37 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.251 3.301 . . . . 1.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -100.31 54.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.131 0.894 . . . . 1.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.4 mm-40 -91.71 -33.36 15.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 1.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.0 -31.47 44.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' GLU . 63.8 t -59.89 128.27 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -46.45 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 1.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.75 -2.94 29.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.313 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.01 -2.6 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -77.27 -39.31 48.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 m -99.07 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.57 76.26 3.27 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.722 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 9.7 p80 -61.96 148.2 44.51 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.19 0.931 . . . . 1.0 109.808 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -66.09 150.98 47.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.24 103.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 55.05 45.89 25.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.04 32.06 82.91 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 1.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 133.11 36.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.21 134.27 56.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.12 163.04 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 55.1 m-85 -159.2 37.68 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.809 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.4 178.79 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' A' ' 48' ' ' SER . 28.1 mttt -62.61 144.18 56.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 57.6 m -64.0 -34.86 78.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.29 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -106.39 54.76 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 1.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 12.2 m -93.21 144.29 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 1.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -38.18 123.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 109.971 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.67 3.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.4 m -85.48 -144.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.998 . . . . 1.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.435 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 31.9 m-70 -65.39 58.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.781 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -69.26 -46.52 67.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -66.56 119.7 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 1.16 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 m -99.32 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 1.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.29 150.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.325 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.25 167.3 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.33 6.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 1.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -7.59 48.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 15.43 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.25 133.89 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 tp -77.59 -21.18 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -78.03 -40.7 37.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 12.4 t80 -61.15 -11.19 8.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.556 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 1.0 OUTLIER -124.47 57.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.628 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 5.2 t -163.39 -48.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.628 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 3.6 m80 -111.97 25.22 11.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.773 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -93.02 118.63 31.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -110.29 6.95 22.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.53 -155.43 31.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.162 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.17 139.57 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 1.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.9 -169.53 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -80.36 -18.9 47.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 26.9 m80 -143.29 -171.93 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -96.49 129.99 43.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -87.85 170.98 10.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 1.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' C ' ' N ' ' A' ' 81' ' ' ALA . 3.1 m -69.88 -67.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 1.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -23.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.38 -50.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 42.5 t -92.59 36.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -133.7 -64.16 0.72 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.752 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -55.44 -19.63 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.994 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -96.29 -38.86 9.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 19.9 t -51.57 -38.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 94' ' ' LYS . 15.5 m -63.93 -22.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.02 -39.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.25 -25.47 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' VAL . 13.5 ptpt -126.79 85.99 59.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.23 8.79 3.08 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.244 3.296 . . . . 1.0 109.609 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 0.24 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.6 mt -122.74 7.1 9.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -58.03 -31.93 67.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.88 19.06 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' CB ' HD22 ' A' ' 97' ' ' LEU . 3.7 m-20 -130.57 -43.4 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.555 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -106.57 51.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.26 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -52.08 132.54 37.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.53 -52.32 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.04 131.77 52.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 66.54 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.5 p -127.05 164.34 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -56.03 -27.68 54.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.9 m -85.71 -68.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -88.28 112.45 49.75 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.303 3.335 . . . . 1.0 109.59 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.774 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 122.063 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.76 174.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.366 3.377 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.85 134.66 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.6 p -52.51 124.18 32.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 54.2 Cg_exo -56.36 138.91 85.54 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.253 3.302 . . . . 1.0 109.632 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 -65.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.267 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.21 130.13 93.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.65 140.87 2.63 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.84 140.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -83.96 136.68 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.9 t -107.92 56.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -41.56 140.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.79 -125.17 2.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 1.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -70.47 -57.58 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 1.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.36 25.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -134.14 157.22 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.9 m -127.52 114.02 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 1.0 110.398 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.41 108.17 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -68.61 140.4 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -128.71 120.68 20.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.523 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 44.7 Cg_endo -86.64 135.84 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.332 3.355 . . . . 1.0 109.632 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 1.3 m80 -88.21 -37.33 16.2 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.161 0.913 . . . . 1.0 109.735 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.649 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -41.34 -69.85 0.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.649 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 54.7 Cg_exo -38.97 -41.08 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.443 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 49.6 m80 -100.68 43.13 1.07 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.146 0.904 . . . . 1.0 109.775 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.89 -27.12 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -83.24 -37.52 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.97 126.26 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.81 151.13 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.7 m -74.89 -28.05 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 108.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -67.41 -23.38 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 m -65.41 -44.75 86.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.21 -56.91 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.08 72.71 5.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.721 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 17.2 p80 -61.2 145.32 51.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.156 0.91 . . . . 1.0 109.756 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.82 149.25 31.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 1.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.38 115.0 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 49.71 37.58 13.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.73 34.17 77.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 1.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 147.6 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.35 135.6 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.618 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -148.04 166.06 28.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' SER . 69.5 m-85 -160.68 34.35 0.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.843 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.0 178.1 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.093 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' O ' ' OG ' ' A' ' 48' ' ' SER . 13.5 mttt -61.66 144.71 54.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 73.4 m -61.08 -31.87 71.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 108.269 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -115.23 58.72 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 5.2 m -90.74 143.78 26.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 1.0 109.993 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -39.1 114.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 1.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.79 -41.76 2.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.2 m -85.89 -142.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.575 ' CE1' HG11 ' A' ' 67' ' ' VAL . 41.6 m-70 -66.22 58.83 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.73 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.13 -44.67 52.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 109.268 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 42.3 t0 -61.54 119.27 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.94 0.67 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 1.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.5 m -98.41 -60.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -47.68 146.88 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -67.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.37 153.75 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.14 142.8 5.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 1.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -75.85 -1.54 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.58 9.99 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.89 126.17 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 1.0 110.044 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.14 -16.0 63.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -83.4 -43.33 16.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 9.6 t80 -61.25 -16.32 44.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.893 -0.575 . . . . 1.0 109.839 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.5 m -109.82 46.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG13 ' CE1' ' A' ' 69' ' ' HIS . 12.3 t -161.79 -49.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.532 ' CE1' HG13 ' A' ' 68' ' ' VAL . 3.7 m80 -108.34 36.48 2.8 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.738 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -112.92 95.42 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.58 -15.42 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 -157.97 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 1.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -85.81 136.05 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 1.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.436 ' CD1' ' OG ' ' A' ' 78' ' ' SER . 5.9 mt -143.6 -171.2 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -93.21 -28.37 16.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 57.7 m-70 -122.23 -171.99 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -99.05 125.15 44.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.436 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -85.5 165.23 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.0 110.0 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.414 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.7 m -71.24 -65.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.61 -29.84 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.7 t -47.16 -61.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 40.3 m170 -37.76 -52.53 1.28 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.772 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -53.12 -46.32 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.003 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.471 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -68.79 -33.97 74.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.9 -63.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.0 m -52.47 -20.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.3 -34.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.15 -35.51 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.93 85.74 50.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.07 6.66 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.305 3.337 . . . . 1.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -5.95 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 28.6 mt -109.98 -0.55 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -56.24 -28.4 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 4.26 14.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.528 ' CB ' HD23 ' A' ' 97' ' ' LEU . 1.4 m-20 -126.51 -43.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.614 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -103.99 50.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 161.99 -27.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.07 129.13 31.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.87 -50.21 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 134.52 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.29 56.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.5 p -124.72 164.32 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -19.13 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -70.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -88.0 112.53 49.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.751 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.283 3.322 . . . . 1.0 109.57 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.605 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.514 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.527 ' CHA' HD13 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.539 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.77 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 122.085 0.945 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.0 168.9 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.323 3.348 . . . . 1.0 109.591 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.74 135.55 33.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p -57.36 122.35 54.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 1.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.602 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 75.4 Cg_exo -52.52 137.04 57.82 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.315 3.343 . . . . 1.0 109.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 139.6 86.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -43.0 144.9 1.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.295 3.33 . . . . 1.0 109.616 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.29 142.99 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -86.33 132.82 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 110.319 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 59.8 t -104.77 64.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.305 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -47.06 142.62 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 1.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.67 -110.8 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.31 -48.83 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 1.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -154.33 29.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -149.43 151.71 34.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.9 m -125.43 120.22 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 t -115.1 116.28 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -70.0 150.05 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 61.6 t80 -137.86 117.84 10.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.2 Cg_endo -83.8 124.41 3.47 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.297 3.331 . . . . 1.0 109.588 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -81.2 -36.98 29.4 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.14 0.9 . . . . 1.0 109.747 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.629 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -43.47 -67.79 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.629 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 87.3 Cg_exo -39.73 -43.44 3.2 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.343 3.362 . . . . 1.0 109.598 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.4 ' CE1' ' NA ' ' A' ' 282' ' ' HEM . 58.5 m80 -96.1 45.02 1.07 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.151 0.907 . . . . 1.0 109.763 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.9 tm-20 -89.3 -26.39 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -83.33 -43.49 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' GLU . 79.8 t -48.96 127.53 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' OE1' ' N ' ' A' ' 30' ' ' CYS . 1.0 OUTLIER -42.29 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 1.2 t -89.65 -24.86 21.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 1.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.42 1.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 42.2 m -77.66 -44.74 27.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.38 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 13.4 m -97.71 -58.72 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 108.267 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.89 67.98 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.747 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.599 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.6 p80 -56.71 152.39 12.33 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.164 0.915 . . . . 1.0 109.762 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.35 147.9 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.3 t -106.07 98.26 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.84 35.61 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.16 33.02 65.17 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 1.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 120.42 15.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -46.55 136.8 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.11 165.14 33.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 1.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.1 m-85 -160.86 33.88 0.15 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.925 -1.034 . . . . 1.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.44 -177.73 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -64.21 138.21 58.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.405 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 72.3 m -55.85 -32.39 63.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 1.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.83 57.45 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 1.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 16.2 m -91.1 144.07 26.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 1.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 49.4 m -38.1 119.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.37 -42.38 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 1.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.2 m -84.27 -143.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.563 ' CE1' HG11 ' A' ' 67' ' ' VAL . 30.3 m-70 -65.71 57.62 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.777 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -72.1 -40.91 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.16 117.76 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.18 1.56 15.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -98.88 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 1.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.52 155.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -38.1 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -109.54 152.52 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.0 139.66 4.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 1.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.87 -6.49 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 1.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 12.6 26.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.92 138.47 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.04 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 tp -80.17 -28.94 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.413 ' HE2' ' C4A' ' A' ' 305' ' ' HEM . 41.3 t80 -72.65 -44.26 62.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.879 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.407 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 16.2 t80 -60.58 -15.93 32.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.939 -0.553 . . . . 1.0 109.848 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.6 m -107.65 40.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.526 HG13 ' CE1' ' A' ' 69' ' ' HIS . 15.2 t -154.09 -50.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 1.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.526 ' CE1' HG13 ' A' ' 68' ' ' VAL . 1.3 m80 -105.71 37.47 2.23 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.796 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -101.86 101.52 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -93.16 -6.72 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.11 -160.56 24.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.162 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.3 pm0 -94.82 138.37 32.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 1.4 mt -140.98 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -87.7 -24.14 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.599 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 51.0 m-70 -128.24 -173.02 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 1.0 109.542 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.33 126.93 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.0 m -87.08 171.34 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 1.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.442 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.0 OUTLIER -70.96 -72.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 79' ' ' CYS . 5.1 mp -39.9 -31.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -63.12 -69.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -50.8 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.411 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 32.3 m170 -36.1 -51.94 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.014 -0.993 . . . . 1.0 109.773 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.401 ' O ' HG21 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -53.67 -49.8 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 1.0 109.998 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 82' ' ' CYS . 2.7 mtpm? -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.8 t -73.43 -66.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.401 HG21 ' O ' ' A' ' 84' ' ' SER . 29.6 m -50.56 -22.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -43.7 -35.98 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.77 -36.68 15.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -122.92 85.3 50.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.16 4.68 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.3 3.333 . . . . 1.0 109.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -9.4 49.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.2 mt -107.99 -1.16 20.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 1.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -54.84 -27.79 44.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 7.3 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -129.09 -44.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 1.0 109.292 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.586 HD13 ' C4D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -101.33 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 165.15 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -48.42 130.89 20.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.5 m -79.82 -48.67 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.29 49.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt 65.8 48.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 13.9 p -117.54 166.12 12.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.415 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 0.4 OUTLIER -61.98 -18.9 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.441 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 60.1 m -93.67 -70.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.413 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 93.7 m-70 -91.72 110.38 43.09 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.052 -0.976 . . . . 1.0 109.752 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.441 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 31.7 Cg_exo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 124.341 3.36 . . . . 1.0 109.549 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.602 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.451 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.586 ' C4D' HD13 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.413 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.774 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 122.094 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.6 Cg_endo -50.52 170.76 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.292 3.328 . . . . 1.0 109.615 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.42 34.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.328 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.411 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 p -55.52 127.51 66.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.587 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 74.6 Cg_exo -54.17 137.28 70.19 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.295 3.33 . . . . 1.0 109.61 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 -59.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 1.0 109.315 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -75.61 140.99 72.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -44.97 148.35 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.286 3.324 . . . . 1.0 109.621 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.05 140.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.311 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.08 143.31 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.319 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LYS . 87.0 t -114.63 63.86 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 10.4 mmtt -40.44 141.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 -134.58 3.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -54.82 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 1.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.45 27.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -135.66 159.88 40.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 m -129.41 109.57 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.458 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.62 117.78 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mmm -71.0 148.57 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -139.57 114.63 8.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.512 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 59.9 Cg_endo -83.29 132.92 6.18 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.289 3.326 . . . . 1.0 109.586 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -85.1 -36.1 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.173 0.921 . . . . 1.0 109.735 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.24 -71.43 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.681 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 74.5 Cg_exo -36.47 -44.57 0.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.286 3.324 . . . . 1.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.404 ' CE1' ' NA ' ' A' ' 282' ' ' HEM . 67.2 m80 -95.64 47.22 1.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.12 0.887 . . . . 1.0 109.723 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -90.36 -27.38 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.33 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -36.35 35.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -69.53 117.33 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.97 165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -82.15 -30.91 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.66 -25.8 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.3 m -63.61 -42.67 98.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 110.441 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.31 -58.48 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 108.345 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.3 m-70 -77.12 71.09 3.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.729 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 12.2 p80 -59.1 143.27 49.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.086 0.866 . . . . 1.0 109.752 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.54 146.65 39.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.1 114.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.73 31.04 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 1.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.74 60.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 1.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -139.35 137.82 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 1.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.76 135.1 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -147.25 160.28 42.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.0 110.005 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 42' ' ' SER . 59.2 m-85 -159.17 33.16 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.818 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.88 178.72 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 48' ' ' SER . 31.1 mttt -62.14 134.58 56.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -51.24 -33.2 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 1.0 108.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -114.31 58.47 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 1.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.8 m -89.23 143.02 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 1.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' SER . 51.1 m -37.53 112.73 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.1 -45.71 1.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -81.9 -142.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.454 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 32.6 m-70 -66.41 57.33 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.746 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -77.58 -38.63 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.46 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 14.2 t70 -59.66 124.3 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 1.5 mt -120.21 8.96 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.55 -57.46 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 1.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.46 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -49.61 141.93 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -52.59 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.97 169.5 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 144.7 7.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -75.54 -3.51 34.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 1.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 8.17 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.407 ' O ' HG21 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.62 139.24 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 58.6 tp -84.25 -17.45 39.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.556 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 21.4 t80 -83.49 -43.03 16.22 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.83 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 34.5 t80 -67.33 -4.46 10.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.952 -0.546 . . . . 1.0 109.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 11.0 m -113.85 35.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 94.4 t -158.11 -47.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.1 m80 -99.63 20.55 13.8 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.814 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -97.44 103.73 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.67 -8.86 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.86 -158.66 3.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.43 136.57 32.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 1.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mt -142.02 -169.81 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -88.12 -35.61 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.523 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 87.3 m-70 -118.45 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -98.88 130.57 45.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.03 172.96 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.526 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.3 m -77.43 -67.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -22.4 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -65.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -50.56 -57.22 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 108.323 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 54.7 m170 -39.12 -55.75 1.57 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.757 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -49.06 -50.07 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 1.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -63.43 -31.31 72.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 88' ' ' ALA . 75.0 t -72.5 -66.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 97' ' ' LEU . 33.1 m -49.9 -22.83 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 86' ' ' VAL . . . -42.87 -34.56 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.52 -37.43 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.92 85.83 50.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.69 4.96 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.348 3.365 . . . . 1.0 109.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.34 -10.45 44.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.262 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.3 mt -106.9 -1.06 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 1.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -54.53 -30.33 53.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.68 4.99 12.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -127.31 -44.3 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 1.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.598 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -99.54 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 162.53 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -45.14 127.61 7.75 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.556 1.16 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.1 m -76.93 -48.46 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.94 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 63.33 53.28 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 8.5 p -119.48 166.25 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 1.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -16.24 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.14 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 108.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -79.29 114.07 41.82 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.77 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.446 -1.267 0 C-N-CA 124.321 3.347 . . . . 1.0 109.636 179.841 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.587 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.579 ' C4D' HD12 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.407 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.784 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.103 0.954 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.509 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.0 Cg_endo -51.74 171.05 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.314 3.342 . . . . 1.0 109.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.04 136.72 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -59.14 123.3 68.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.588 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 76.2 Cg_exo -54.3 142.54 68.22 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.309 3.339 . . . . 1.0 109.593 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -67.25 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 127.42 92.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -36.82 141.36 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.322 3.348 . . . . 1.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.73 140.23 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.32 132.58 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.9 t -102.22 74.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -46.9 152.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.84 -136.71 3.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -88.86 -30.81 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.88 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.31 161.73 40.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -132.92 140.63 47.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -134.28 114.57 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 mmm -69.1 151.69 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 36.7 t80 -140.65 113.5 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 57.2 Cg_endo -83.5 131.72 5.64 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.345 3.363 . . . . 1.0 109.567 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -84.77 -35.74 22.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.102 0.876 . . . . 1.0 109.805 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.67 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.53 -71.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.67 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 53.6 Cg_exo -38.67 -40.2 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.331 3.354 . . . . 1.0 109.543 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' CE1' ' NA ' ' A' ' 282' ' ' HEM . 30.0 m80 -101.99 45.76 0.95 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.163 0.914 . . . . 1.0 109.81 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.91 -26.36 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.83 -38.72 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.1 116.41 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.17 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.0 110.243 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -88.72 -24.09 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 1.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -21.32 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 m -70.81 -35.21 72.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 1.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.3 m -103.6 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.76 71.0 6.39 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.762 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.6 p80 -56.96 156.6 6.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.133 0.895 . . . . 1.0 109.775 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.13 146.5 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.78 107.7 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 57.65 48.47 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.33 33.55 61.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -135.37 154.56 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 1.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.4 tt0 -75.66 137.18 40.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.639 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.47 160.34 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 42' ' ' SER . 57.4 m-85 -157.67 42.21 0.31 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.775 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.8 176.14 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.49 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.5 OUTLIER -53.75 165.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 63.7 m -91.47 19.26 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 108.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -162.55 61.09 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.1 m -104.89 147.9 27.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 70.9 m -37.19 128.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.54 -36.54 3.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.551 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 1.8 m -94.67 -146.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.611 ' CE1' HG12 ' A' ' 67' ' ' VAL . 17.2 m-70 -64.89 62.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.749 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -72.11 -48.72 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 24.1 t0 -56.78 122.41 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -113.18 0.22 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.4 m -101.13 -60.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.64 142.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 150.93 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.03 147.34 6.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 1.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HB2' ' CBD' ' A' ' 251' ' ' HEM . 1.7 pt-20 -82.16 9.85 7.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 1.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.54 15.19 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -107.96 131.47 54.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' O ' HG23 ' A' ' 67' ' ' VAL . 38.2 tp -70.92 -11.61 61.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -87.05 -40.86 14.31 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.839 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.402 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 7.6 t80 -65.72 -6.94 13.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.876 -0.583 . . . . 1.0 109.803 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG12 ' CE1' ' A' ' 52' ' ' HIS . 2.6 m -115.57 46.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 6.7 t -163.58 -48.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 1.1 m80 -109.82 36.7 2.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.768 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.404 ' CB ' HD13 ' A' ' 74' ' ' LEU . . . -113.87 95.06 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -14.98 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.93 -156.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 134.94 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 0.813 . . . . 1.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.404 HD13 ' CB ' ' A' ' 70' ' ' ALA . 4.0 mt -143.2 -174.71 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -21.82 21.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 43.1 m-70 -126.08 -173.11 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -103.04 126.27 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.0 m -88.77 167.87 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.047 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.3 m -66.71 -65.4 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.484 ' CD1' ' O ' ' A' ' 68' ' ' VAL . 5.5 mp -46.1 -23.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -72.0 -51.36 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.572 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 35.0 t -92.79 29.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.598 ' CE1' HD12 ' A' ' 97' ' ' LEU . 3.7 m170 -128.63 -57.13 1.2 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.3 p -67.65 -23.3 65.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 1.0 110.012 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.3 mtpp -91.26 -32.76 15.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.15 -43.7 98.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.1 m -58.16 -23.22 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.55 -36.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -92.26 -43.47 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 1.0 110.275 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -112.97 90.2 15.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -77.74 9.68 2.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.265 3.31 . . . . 1.0 109.617 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -9.21 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 1.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.7 mt -107.54 -1.71 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -47.23 -25.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.48 40.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.5 m-20 -156.43 -42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.63 HD13 ' C1A' ' A' ' 282' ' ' HEM . 1.2 mm? -108.52 36.07 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.538 ' CG2' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -171.3 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.65 125.9 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 1.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.5 m -71.26 -43.86 66.39 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.27 141.4 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.82 46.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.5 p -120.98 164.57 16.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -57.17 -17.89 13.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 1.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.406 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 72.8 m -93.99 -63.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 1.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -101.18 106.45 45.14 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.795 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.5 Cg_exo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.323 3.349 . . . . 1.0 109.57 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.588 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.551 ' C4C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.63 ' C1A' HD13 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.105 0.955 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.95 172.82 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.336 3.358 . . . . 1.0 109.585 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.83 121.06 30.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 p -40.08 123.22 1.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.6 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 74.2 Cg_exo -53.47 139.29 65.7 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.262 3.308 . . . . 1.0 109.589 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -74.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 138.04 91.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.86 144.81 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.349 . . . . 1.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.56 142.87 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -93.4 131.58 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' CG2' ' O2D' ' A' ' 233' ' ' HEM . 65.5 t -104.37 68.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.57 141.55 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.05 -130.22 3.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 p -70.94 -58.1 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 1.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -151.92 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -135.86 147.05 48.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -126.24 111.39 14.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 77.4 t -110.33 120.91 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.93 153.04 38.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -141.88 119.38 7.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.0 Cg_endo -88.46 129.44 2.25 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 1.0 109.623 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -82.03 -32.99 30.22 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.164 0.915 . . . . 1.0 109.824 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.712 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -47.33 -72.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.712 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 84.1 Cg_exo -33.8 -39.47 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.312 3.341 . . . . 1.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -96.98 51.02 1.11 Allowed 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.113 0.883 . . . . 1.0 109.764 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.1 mt-10 -90.46 -29.0 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -80.78 -37.44 30.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 46.9 t -54.71 127.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -46.15 172.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.4 -0.82 34.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 1.0 108.357 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.61 -3.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -77.69 -39.08 45.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 17.1 m -96.92 -60.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.52 74.97 5.05 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.708 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 24.7 p80 -62.38 146.82 50.29 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 124.164 0.915 . . . . 1.0 109.763 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 40' ' ' LYS . 45.8 mt -69.91 152.3 44.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.41 126.27 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 1.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.46 35.9 15.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.38 91.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' O ' ' CD2' ' A' ' 36' ' ' LEU . 4.1 ptmt -129.74 177.67 7.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.97 137.44 40.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.69 164.5 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.991 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 61.7 m-85 -156.88 31.45 0.3 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.71 179.47 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' O ' ' OG ' ' A' ' 48' ' ' SER . 7.3 mttt -65.22 138.48 58.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 71.2 m -52.75 -32.87 45.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -111.8 57.63 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 19.7 m -94.13 144.03 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 1.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.8 m -37.63 123.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.0 109.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -32.33 7.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -93.03 -145.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.604 ' CE1' HG12 ' A' ' 67' ' ' VAL . 38.6 m-70 -64.51 61.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.91 -48.33 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 45.5 t0 -57.13 119.6 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.92 -1.15 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -96.74 -62.83 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -50.1 147.95 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -36.26 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 134.4 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.18 148.13 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 1.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.37 7.84 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -118.13 8.96 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.517 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -98.82 119.67 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' C ' HG21 ' A' ' 67' ' ' VAL . 63.4 tp -59.98 -15.65 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.423 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 31.5 t80 -84.82 -39.78 17.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.859 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.68 -0.43 5.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 118.904 -0.569 . . . . 1.0 109.803 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.625 HG13 ' C3A' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -119.81 38.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.613 HG12 ' CE1' ' A' ' 69' ' ' HIS . 51.9 t -160.09 -48.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.1 m80 -105.28 35.46 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.781 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.423 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -114.22 93.79 4.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 1.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.01 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.99 -159.29 0.41 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 1.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 1.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 10.9 mt -148.31 -171.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -26.44 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 51.4 m-70 -126.55 -169.4 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -105.05 127.35 52.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -87.59 171.19 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.992 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -69.37 -66.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 8.3 mp -47.21 -23.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.442 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.37 -51.01 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.627 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 48.9 t -93.63 34.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 108.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.407 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.2 m170 -132.91 -45.61 0.86 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.766 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -73.88 -16.68 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.995 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 40.6 mttt -94.03 -35.14 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.96 -40.68 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.9 m -64.32 -19.57 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.3 -40.86 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.73 -21.69 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 1.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.43 87.75 41.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.95 9.74 3.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.321 3.347 . . . . 1.0 109.62 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.07 -2.13 35.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.6 mt -116.14 1.0 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.492 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -89.47 16.81 7.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 9.1 m-20 -131.44 -44.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.58 HD12 ' C4D' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -107.06 49.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.7 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -49.18 130.69 24.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 1.0 108.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.98 130.72 55.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 68.09 55.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 28.5 p -123.87 165.68 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -58.36 -18.05 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.413 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -97.77 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 108.312 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -93.03 110.33 45.27 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 50.3 Cg_exo . . . . . 0 N--CA 1.447 -1.258 0 C-N-CA 124.303 3.335 . . . . 1.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.6 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.625 ' C3A' HG13 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.627 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.533 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.768 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 122.056 0.931 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.55 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 19.6 Cg_endo -58.73 171.89 1.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.302 3.335 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.0 116.43 18.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.318 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.426 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 p -47.32 122.15 7.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.62 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 76.4 Cg_exo -54.08 138.02 70.39 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.273 3.315 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.66 -65.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.51 128.47 93.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -38.89 141.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.296 3.331 . . . . 1.0 109.612 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.99 138.48 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.306 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 147.48 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.1 t -116.31 59.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -43.61 143.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.11 -129.84 2.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 p -69.67 -57.37 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 1.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 27.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -136.49 150.13 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -125.58 112.88 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.16 118.8 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 mmt -73.92 153.72 39.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 34.9 t80 -140.93 114.94 7.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.547 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 38.2 Cg_endo -86.4 135.67 4.46 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.272 3.315 . . . . 1.0 109.621 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.401 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 3.6 m80 -86.04 -37.13 19.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.138 0.899 . . . . 1.0 109.773 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.632 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -43.66 -68.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.632 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 73.4 Cg_exo -39.86 -36.58 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.33 3.353 . . . . 1.0 109.606 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -104.0 42.25 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 O-C-N 124.157 0.911 . . . . 1.0 109.76 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 tp10 -100.59 42.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -46.15 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG13 ' CG2' ' A' ' 32' ' ' THR . 3.1 t -72.11 140.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.42 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 3.6 m -97.82 24.18 7.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.18 -20.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 1.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 ' CG2' HG13 ' A' ' 28' ' ' VAL . 20.9 m -66.89 -41.24 87.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' CYS . 98.4 m-70 -76.19 71.22 2.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.732 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.4 p80 -59.66 146.3 41.64 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.112 0.883 . . . . 1.0 109.755 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 149.51 39.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.462 ' O ' ' CG ' ' A' ' 40' ' ' LYS . 1.5 t -112.02 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t70 67.43 40.38 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.45 31.66 81.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -135.56 149.03 49.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 1.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.11 140.84 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -155.0 163.03 40.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 1.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 67.1 m-85 -159.06 35.17 0.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.829 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 179.95 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -58.03 165.0 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 65.3 m -92.82 22.09 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 59.4 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.2 m -102.03 148.62 25.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 1.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 92.3 p -37.64 124.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.87 -38.93 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.494 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.1 m -90.99 -145.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.568 ' CE1' HG12 ' A' ' 67' ' ' VAL . 19.2 m-70 -66.03 60.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -81.41 -32.62 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 9.6 t70 -66.14 124.1 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.89 8.61 10.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -52.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -63.44 154.05 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.9 -35.23 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -104.6 149.7 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.86 147.64 7.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.27 1.58 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 1.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -110.37 7.13 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.276 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.45 133.62 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 1.0 110.047 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.404 ' O ' HG22 ' A' ' 67' ' ' VAL . 26.9 tp -74.94 -14.56 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -85.7 -41.5 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.975 -1.012 . . . . 1.0 109.846 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.426 ' O ' ' HB1' ' A' ' 70' ' ' ALA . 14.0 t80 -65.66 -5.24 7.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.907 -0.568 . . . . 1.0 109.846 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.568 HG12 ' CE1' ' A' ' 52' ' ' HIS . 10.1 m -120.28 39.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG12 ' CE1' ' A' ' 69' ' ' HIS . 5.5 t -153.71 -50.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.512 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -107.71 39.68 1.87 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -108.03 105.2 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -98.28 -8.76 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.08 -157.99 8.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 1.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 3.2 mt -142.03 -170.23 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -89.64 -26.35 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 65.1 m-70 -124.01 -170.88 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -101.1 123.78 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.426 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -83.71 164.8 19.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.501 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -68.66 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.6 mp -49.08 -29.41 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 1.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.44 -67.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.249 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -52.51 -54.05 37.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -44.06 -56.93 3.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.766 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -48.88 -51.03 32.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 110.023 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.486 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -64.67 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.36 -62.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.441 ' CG1' ' HB2' ' A' ' 97' ' ' LEU . 30.6 m -53.22 -20.77 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.15 -38.39 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.99 -37.53 18.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 91.78 49.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.81 8.5 3.4 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.313 3.342 . . . . 1.0 109.604 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.1 -5.95 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.8 mt -111.06 -0.86 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.259 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -57.06 -32.22 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -7.39 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.512 ' CB ' HD21 ' A' ' 97' ' ' LEU . 11.9 m-20 -115.61 -42.17 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.611 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.43 47.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.45 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 1.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -46.46 128.14 10.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -77.89 -47.27 19.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.17 52.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.0 42.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.0 p -113.84 166.37 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.46 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 7.9 mmmt -59.14 -23.54 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.453 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -90.02 -59.71 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -102.27 104.3 36.22 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 32.5 Cg_exo . . . . . 0 N--CA 1.447 -1.243 0 C-N-CA 124.323 3.349 . . . . 1.0 109.617 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.62 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.494 ' C4C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.552 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.531 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.782 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 122.064 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.443 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 11.4 Cg_endo -50.79 169.98 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.295 3.33 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.78 139.09 40.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.77 127.17 93.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.592 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 72.6 Cg_exo -55.3 140.68 81.87 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 1.0 109.586 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -67.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 1.0 109.324 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 136.36 96.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.78 135.08 7.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.329 3.353 . . . . 1.0 109.646 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.87 140.66 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.1 151.1 23.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.2 t -123.99 62.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 142.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.63 -127.1 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -56.96 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -160.15 25.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -137.83 155.92 48.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -124.13 119.92 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.27 114.59 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -66.36 150.17 49.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 41.9 t80 -138.25 112.16 8.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 43.8 Cg_endo -84.38 130.06 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.266 3.311 . . . . 1.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -83.65 -34.74 24.97 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.123 0.889 . . . . 1.0 109.806 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.625 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -43.55 -67.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.625 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 89.3 Cg_exo -39.23 -35.51 0.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.297 3.331 . . . . 1.0 109.589 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -108.95 50.15 0.79 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.134 0.896 . . . . 1.0 109.787 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 10.2 tt0 -91.96 -27.87 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -83.01 -39.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.39 125.23 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -53.43 152.65 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -75.93 -28.15 57.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.41 -21.62 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 1.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 m -69.61 -36.63 76.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 4.4 m -102.36 -56.32 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 108.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -78.95 68.11 4.82 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.768 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.471 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 6.6 p80 -56.27 143.04 35.36 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.173 0.921 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.18 147.48 35.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.41 108.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.7 t0 53.3 46.1 27.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.06 32.95 84.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 1.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 166.25 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.77 134.54 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.97 163.59 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.969 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.8 m-85 -159.36 35.35 0.2 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.817 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.11 174.28 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 163.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 58.7 m -89.25 25.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.2 57.1 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 15.1 m -101.87 144.75 30.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 1.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -36.09 125.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.965 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.08 -38.85 2.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.8 m -90.77 -144.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.497 ' CE1' HG12 ' A' ' 67' ' ' VAL . 24.4 m-70 -66.33 60.02 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -68.74 -48.01 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 44.9 t0 -60.15 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -118.37 4.69 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.8 m -105.32 -58.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.449 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -41.25 147.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -25.18 14.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.52 146.53 47.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.62 144.28 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.574 1.171 . . . . 1.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -76.4 0.99 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 0.799 . . . . 1.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.26 11.57 29.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.408 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.7 OUTLIER -101.2 146.89 26.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 1.0 109.973 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.509 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 64.8 tp -88.52 -23.54 23.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 2.8 t80 -81.32 -40.53 23.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.857 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 67.6 t80 -73.64 10.58 1.04 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.903 -0.57 . . . . 1.0 109.812 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.509 ' CG2' ' HA ' ' A' ' 64' ' ' LEU . 1.4 m -126.6 31.14 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.421 ' CG2' ' C ' ' A' ' 67' ' ' VAL . 20.1 t -153.71 -48.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.416 ' O ' ' C ' ' A' ' 70' ' ' ALA . 24.1 m80 -86.26 -39.1 16.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.771 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -38.83 109.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -3.57 34.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.32 -160.92 13.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 1.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 137.09 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 1.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.79 -168.27 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -85.61 -18.5 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.471 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 32.3 m80 -138.29 -173.26 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 1.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m -94.17 135.49 35.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.52 176.83 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.549 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 4.1 m -78.81 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 108.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD2' HG23 ' A' ' 98' ' ' THR . 4.9 mt -53.94 -18.94 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' CD ' ' A' ' 85' ' ' LYS . . . -73.74 -48.84 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.623 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 42.1 t -91.32 35.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 8.7 m170 -128.08 -65.54 0.9 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.726 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 42.9 t -57.48 -15.86 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 110.032 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 mptt -91.29 -36.77 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.48 -43.2 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 18.5 m -54.4 -25.22 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -40.6 -33.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.89 -43.67 7.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.78 23.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.99 10.0 2.81 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.282 3.321 . . . . 1.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -9.07 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.19 0.6 19.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -53.7 -19.2 3.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 43.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.02 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.618 ' CD1' ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -95.86 23.25 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.476 HG23 ' CD2' ' A' ' 80' ' ' LEU . 1.0 OUTLIER -160.74 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.28 124.01 0.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.984 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.7 m -73.42 -46.45 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.51 135.0 51.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 1.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 66.62 56.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -126.58 164.31 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 1.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 9.8 mmmt -53.29 -21.08 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.32 -72.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 108.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.24 113.75 46.11 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.781 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 C-N-CA 124.32 3.347 . . . . 1.0 109.577 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.592 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.446 ' C4C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.623 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.4 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.78 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.503 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 12.0 Cg_endo -51.68 170.54 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.342 3.362 . . . . 1.0 109.607 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 125.56 34.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 1.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.468 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.0 p -47.58 122.77 8.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.615 ' HG2' ' C3A' ' A' ' 233' ' ' HEM . 67.3 Cg_exo -55.29 137.01 76.03 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.323 3.348 . . . . 1.0 109.594 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.38 32.58 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.502 ' O ' HG11 ' A' ' 9' ' ' VAL . 2.8 tmtt? -149.28 117.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' LYS . 12.5 Cg_exo -33.01 112.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.502 HG11 ' O ' ' A' ' 7' ' ' LYS . 29.1 m -93.28 151.84 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.31 131.63 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.8 t -102.37 73.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -52.65 151.8 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.21 -138.8 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -52.06 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -161.54 26.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.01 161.22 36.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.4 m -134.11 128.91 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 1.0 110.444 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.98 118.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -71.52 148.85 46.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 1.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -138.37 111.16 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 111.002 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.1 Cg_endo -81.89 132.66 7.58 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.355 3.37 . . . . 1.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.3 m80 -85.04 -36.05 21.49 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.116 0.885 . . . . 1.0 109.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.68 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.25 -71.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 62.6 Cg_exo -37.79 -36.52 0.44 Allowed 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.33 3.353 . . . . 1.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -102.41 49.62 0.84 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.11 0.881 . . . . 1.0 109.8 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.7 mt-10 -92.06 -26.19 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -39.6 29.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.03 129.26 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.04 170.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -87.53 -33.36 18.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -23.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 1.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -65.6 -46.44 79.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 9.3 m -94.85 -56.03 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -77.86 63.61 2.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.43 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 6.3 p80 -52.85 147.89 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.14 0.9 . . . . 1.0 109.734 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.04 147.06 45.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.345 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.443 ' CG1' ' H ' ' A' ' 38' ' ' ASP . 18.4 t -70.29 -124.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.443 ' H ' ' CG1' ' A' ' 37' ' ' VAL . 36.1 p30 -98.59 28.98 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.71 52.75 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 1.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 116.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 0.799 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.5 tt0 -48.9 141.39 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.63 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.88 163.39 38.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.1 m-85 -154.79 43.96 0.5 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.825 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.33 -178.5 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.468 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -62.83 166.4 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 60.8 m -92.22 22.63 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.81 58.51 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 1.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 m -103.88 147.15 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 1.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.3 m -36.76 128.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.74 -35.93 4.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -94.35 -145.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.458 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 23.2 m-70 -65.47 61.42 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.765 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -72.56 -41.2 66.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -67.21 125.92 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 5.43 12.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 -56.82 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.67 141.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -91.41 -37.71 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.71 148.21 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.51 145.87 6.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.54 0.67 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 1.0 110.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -105.61 7.79 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.57 141.01 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.99 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -82.55 -26.29 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 33.8 t80 -74.97 -40.5 60.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.856 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.406 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 25.2 t80 -66.17 -5.48 10.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.92 -0.562 . . . . 1.0 109.824 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.569 HG13 ' C4A' ' A' ' 251' ' ' HEM . 3.5 m -118.43 40.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.583 HG12 ' CE1' ' A' ' 69' ' ' HIS . 53.5 t -159.84 -47.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.583 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.0 m80 -104.29 22.89 14.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.755 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -101.54 100.43 10.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.5 ttp85 -92.63 -15.88 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 110.262 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.69 -158.13 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 1.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.61 135.28 33.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.767 . . . . 1.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -140.56 -171.77 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.03 -8.96 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 26.7 m80 -139.6 177.3 8.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 1.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -90.05 129.37 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 172.61 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.87 -64.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 tt -54.47 -21.16 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.88 -52.04 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.461 ' CD2' HD11 ' A' ' 97' ' ' LEU . 43.2 m170 -45.64 -51.6 11.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.762 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 18.5 t -53.47 -54.98 29.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.014 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.476 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 2.2 mttt -59.63 -33.59 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.81 -62.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.9 m -52.54 -20.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.1 -36.5 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.28 -37.62 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.24 93.19 47.94 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.88 12.6 2.39 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.314 3.343 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -97.36 -8.71 28.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.4 mt -109.98 -1.01 17.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.38 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -86.25 11.97 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.15 -43.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.602 HD13 ' C4D' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -103.23 49.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 163.58 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 110.427 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.28 129.41 32.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 1.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 34.4 m -77.54 -50.06 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.02 134.11 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mttp 66.82 54.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 p -123.12 164.02 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 8.6 mmmt -54.98 -22.34 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 16.5 m -93.77 -71.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.81 113.8 40.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.615 ' C3A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.569 ' C4A' HG13 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.602 ' C4D' HD13 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.421 ' NB ' ' CD2' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.768 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.051 0.929 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ALA . 52.3 Cg_exo -46.71 174.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.309 3.339 . . . . 1.0 109.551 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.01 124.4 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.0 p -46.16 128.11 7.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.537 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 50.6 Cg_exo -57.86 135.41 68.84 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.319 3.346 . . . . 1.0 109.616 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.58 22.84 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' CD ' ' HD2' ' A' ' 8' ' ' PRO . 1.3 tptt -138.67 121.7 10.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.472 ' HD2' ' CD ' ' A' ' 7' ' ' LYS . 23.2 Cg_exo -33.9 111.12 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.315 3.343 . . . . 1.0 109.599 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.3 m -90.29 140.83 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -93.51 128.64 39.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.25 67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -43.14 140.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.95 -146.2 5.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 1.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.77 39.89 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 1.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -168.73 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 -168.92 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 m -122.69 140.87 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.0 116.25 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.23 148.64 41.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -139.0 117.53 9.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.493 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 63.7 Cg_endo -83.52 135.84 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.281 3.32 . . . . 1.0 109.614 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 1.5 m80 -86.89 -37.81 17.33 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.779 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.69 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -41.76 -71.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.69 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 54.3 Cg_exo -38.43 -32.7 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.386 3.391 . . . . 1.0 109.521 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' CE1' ' NA ' ' A' ' 282' ' ' HEM . 75.3 m80 -103.85 52.8 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.153 0.908 . . . . 1.0 109.802 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.503 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.75 39.86 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 110.243 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.88 -46.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -76.84 124.79 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.08 156.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.0 m -74.84 -27.01 60.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 HG12 ' N ' ' A' ' 32' ' ' THR . 2.7 p -63.38 -27.56 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 109.288 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.407 ' N ' HG12 ' A' ' 31' ' ' VAL . 22.2 m -60.96 -51.58 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 4.6 m -86.47 -53.81 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 108.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.3 m-70 -84.16 85.48 7.35 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.775 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.8 p80 -67.02 157.75 32.69 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.149 0.906 . . . . 1.0 109.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.99 149.05 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.37 103.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 109.331 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 59.25 54.09 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.347 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.58 29.17 47.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 158.64 40.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.62 134.77 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -146.22 163.55 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.991 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.1 m-85 -159.22 33.85 0.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.82 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.43 -178.45 6.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 6.8 mttp -60.75 145.98 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 71.0 m -66.35 -36.23 82.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -108.47 56.2 0.48 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 3.6 m -91.94 141.81 28.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 1.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.5 m -37.62 123.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.1 -36.61 4.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.8 m -89.17 -142.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.424 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 40.2 m-70 -65.1 59.26 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.004 -0.998 . . . . 1.0 109.799 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -72.64 -51.09 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.494 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 14.8 t70 -54.17 128.6 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -121.26 8.35 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -45.79 126.02 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 1.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 165.8 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.21 139.64 5.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 1.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HB2' ' CAD' ' A' ' 251' ' ' HEM . 12.1 pt-20 -75.67 -0.68 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 1.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -113.13 7.75 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 57' ' ' ALA . 3.6 m -98.6 136.02 39.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.034 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.96 -22.73 49.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 48.8 t80 -78.49 -41.97 31.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.835 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -54.82 -16.46 2.64 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.799 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.705 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.84 55.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 13.1 t -163.37 -48.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.547 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 6.5 m80 -111.73 23.85 13.4 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.008 -0.997 . . . . 1.0 109.753 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -96.54 108.44 21.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -102.93 -1.04 30.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.6 -158.84 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 137.25 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -140.76 -170.68 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -81.92 -16.31 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 50.4 m-70 -138.96 -169.52 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.584 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.85 127.91 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.469 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 8.4 m -86.97 171.21 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.409 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.8 m -73.33 -58.22 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 1.0 108.237 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -53.86 -22.05 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.51 -62.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 49.4 t -55.25 -62.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 108.298 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 52.4 m170 -37.77 -51.67 1.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.767 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.81 -51.57 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 1.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.478 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 11.0 mttt -66.24 -30.96 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 55.0 t -64.91 -63.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 1.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.6 m -53.68 -20.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.478 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.85 -35.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -95.1 -41.16 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.32 94.98 33.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.92 11.85 2.64 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.331 3.354 . . . . 1.0 109.606 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.69 -10.55 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASP . 47.7 mt -106.09 -4.9 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -50.65 -28.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 30.29 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -152.07 -45.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.615 HD12 ' C4D' ' A' ' 282' ' ' HEM . 1.1 mm? -101.92 50.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 164.7 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.91 133.47 36.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 1.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 40.9 m -80.66 -51.56 8.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.98 134.98 50.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 1.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? 66.65 48.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.7 p -118.58 164.65 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 14.8 mmmt -57.66 -24.01 54.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.15 -63.54 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 108.345 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.82 109.96 46.85 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 C-N-CA 124.255 3.303 . . . . 1.0 109.629 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.537 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.598 ' CHB' HG23 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.615 ' C4D' HD12 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.545 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.768 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.097 0.951 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.525 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 10.2 Cg_endo -49.61 171.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.323 3.348 . . . . 1.0 109.633 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.73 133.14 35.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.296 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.44 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.85 123.38 71.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.605 ' HG2' ' C3A' ' A' ' 233' ' ' HEM . 51.3 Cg_exo -57.0 136.23 75.49 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.34 3.36 . . . . 1.0 109.631 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 29.56 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.27 116.48 5.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.347 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -34.35 103.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.286 3.324 . . . . 1.0 109.627 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.528 ' CG1' ' CGA' ' A' ' 233' ' ' HEM . 15.5 m -89.47 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 1.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -92.7 131.16 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 12' ' ' LYS . 94.4 t -97.02 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 1.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 15.7 mmtt -39.89 142.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 1.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 -129.88 2.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 1.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.4 p -69.22 -56.37 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 1.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -160.19 31.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -143.56 146.09 33.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 24.2 m -117.11 134.39 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 HG23 ' C2D' ' A' ' 305' ' ' HEM . 20.9 t -133.16 108.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 1.0 109.297 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 19' ' ' MET . 2.8 ptp -64.13 140.61 58.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -131.61 118.43 16.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.4 Cg_endo -87.96 132.01 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.283 3.322 . . . . 1.0 109.626 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -84.3 -37.47 21.62 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.145 0.903 . . . . 1.0 109.769 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.65 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.18 -69.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.65 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 57.7 Cg_exo -40.44 -31.42 0.61 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.302 3.334 . . . . 1.0 109.628 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.408 ' CE1' ' NA ' ' A' ' 282' ' ' HEM . 29.9 m80 -112.82 50.1 0.9 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.137 0.898 . . . . 1.0 109.761 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -111.96 38.48 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 1.0 110.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -45.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.481 HG13 ' CG2' ' A' ' 32' ' ' THR . 18.5 t -70.91 124.28 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -38.27 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -72.65 -26.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 1.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.93 -22.54 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.481 ' CG2' HG13 ' A' ' 28' ' ' VAL . 63.1 m -64.35 -48.56 75.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.8 m -93.98 -55.33 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -78.61 74.89 5.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.751 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.0 p80 -61.46 156.14 20.08 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.21 0.944 . . . . 1.0 109.735 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.1 145.49 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.55 126.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 55.02 27.69 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.97 43.32 82.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.21 148.49 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.91 138.79 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 1.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.89 163.17 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 1.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.8 m-85 -154.88 31.87 0.4 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.871 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.45 -179.58 7.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.464 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -59.14 162.08 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 62.3 m -91.93 23.99 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.46 59.25 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 1.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.7 OUTLIER -104.08 149.58 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 1.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 50.5 m -36.69 126.28 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 1.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . 99.06 -36.15 4.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.44 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.4 m -94.1 -148.26 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.319 -0.993 . . . . 1.0 108.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.601 ' CE1' HG13 ' A' ' 67' ' ' VAL . 16.9 m-70 -66.42 58.5 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.755 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -87.4 -8.3 56.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.03 111.05 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.63 16.65 20.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -55.96 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.15 161.93 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -41.2 4.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -109.65 150.41 28.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.74 153.7 8.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 3.22 15.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 1.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.49 -5.55 26.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.34 142.86 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.487 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -84.88 -28.93 25.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -71.85 -42.87 66.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.819 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.552 ' CD2' ' O1A' ' A' ' 251' ' ' HEM . 42.3 t80 -65.24 -7.48 13.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.894 -0.574 . . . . 1.0 109.815 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.601 HG13 ' CE1' ' A' ' 52' ' ' HIS . 8.2 m -115.85 47.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.472 HG13 ' CE1' ' A' ' 69' ' ' HIS . 3.5 t -160.48 -50.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.472 ' CE1' HG13 ' A' ' 68' ' ' VAL . 3.1 m80 -98.94 4.87 47.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.795 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -73.43 95.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.17 -14.54 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.81 -156.93 1.09 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 1.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -90.44 134.54 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' O2A' ' A' ' 251' ' ' HEM . 1.7 mt -139.68 -167.68 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -92.76 -34.52 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 52.2 m-70 -115.92 -172.53 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 m -98.32 125.05 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 50.8 m -89.35 169.4 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.44 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -66.62 -66.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 1.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 2.0 mt -46.11 -23.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.44 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.83 -50.91 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.601 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 40.0 t -94.22 30.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 108.258 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.583 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.9 m170 -129.31 -50.06 1.19 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.742 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -72.99 -24.75 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 32.1 mttt -88.96 -35.09 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.11 -46.81 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 m -58.96 -21.76 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.493 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.9 -36.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 -38.15 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -124.57 85.15 56.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.84 8.86 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.299 3.333 . . . . 1.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -5.02 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 1.0 110.334 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 97' ' ' LEU . 79.4 mt -113.26 -3.45 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HG3' ' CG2' ' A' ' 98' ' ' THR . 3.6 tttm -47.53 -54.05 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 1.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -25.16 11.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -95.07 -37.21 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.65 ' N ' ' O ' ' A' ' 93' ' ' LEU . 0.6 OUTLIER -114.41 55.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 1.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.01 -27.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.395 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.08 127.7 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.8 m -75.92 -47.63 24.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.39 135.83 49.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt 68.42 53.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 1.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 p -125.67 163.55 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -59.91 -16.82 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 74.0 m -92.14 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.21 111.32 49.71 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.773 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.312 3.341 . . . . 1.0 109.589 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.605 ' C3A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.552 ' O1A' ' CD2' ' A' ' 66' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.606 ' CHA' ' CD1' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.438 ' C2D' HG23 ' A' ' 18' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.776 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.093 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.419 ' HG3' ' CB ' ' A' ' 43' ' ' TYR . 12.1 Cg_endo -55.2 171.81 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.297 3.331 . . . . 1.0 109.596 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.87 118.02 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -40.16 121.33 1.6 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.656 ' HG2' ' C3A' ' A' ' 233' ' ' HEM . 75.6 Cg_exo -53.52 139.38 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.298 3.332 . . . . 1.0 109.637 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.64 -77.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.26 133.18 61.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.22 141.74 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.288 3.325 . . . . 1.0 109.625 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.496 ' CG1' ' CGA' ' A' ' 233' ' ' HEM . 15.0 m -111.64 141.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 4.4 mm-40 -91.93 129.84 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.464 HG22 ' CGD' ' A' ' 233' ' ' HEM . 92.7 t -102.67 68.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -47.82 147.23 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.51 -134.5 3.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.9 p -72.76 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 1.0 109.966 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -148.72 32.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -154.74 155.85 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.1 m -125.88 132.21 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.52 115.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 29.1 t80 -142.21 110.9 5.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.492 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 45.2 Cg_endo -83.19 128.49 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.343 3.362 . . . . 1.0 109.629 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.36 -40.16 21.75 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.195 0.934 . . . . 1.0 109.806 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.648 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.48 -69.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.648 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 79.0 Cg_exo -34.15 -42.09 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.364 3.376 . . . . 1.0 109.538 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -95.44 50.58 1.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 124.117 0.886 . . . . 1.0 109.766 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.7 pt-20 -107.24 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -143.01 -47.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 9.1 t -60.29 143.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CG ' ' OG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -45.0 171.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -100.6 22.38 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 1.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.43 -40.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.462 ' OG1' ' CG ' ' A' ' 29' ' ' GLU . 2.4 m -42.03 -48.67 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -86.77 -56.6 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 108.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -86.52 76.49 9.58 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.727 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.444 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 5.8 p80 -64.92 155.09 35.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.126 0.891 . . . . 1.0 109.769 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.1 mt -76.67 150.99 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.0 t -111.43 97.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 1.0 109.26 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.55 49.89 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.85 35.34 82.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.4 127.55 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.12 140.5 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -151.61 162.91 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.7 m-85 -157.29 42.89 0.33 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.81 175.02 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.18 158.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 58.3 m -88.26 27.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 1.0 108.266 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.51 56.83 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 1.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.4 m -101.69 148.07 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 1.0 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -36.23 127.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 109.981 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.99 -36.51 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -90.66 -148.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 17.4 m-70 -66.18 59.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.735 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -70.76 -43.19 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 1.0 109.278 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.511 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 17.6 t70 -61.13 130.26 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.6 mt -125.93 11.83 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -116.77 -58.17 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.511 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -42.7 149.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 66' ' ' TYR . 2.9 mttt -86.53 -72.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.25 152.04 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.27 140.39 4.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 1.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.23 -0.98 21.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 1.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -105.15 4.53 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.557 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -97.06 145.15 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 110.0 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 56.3 tp -87.17 -31.29 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 45.3 t80 -68.42 -42.04 79.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 26.4 t80 -64.84 -4.01 3.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.881 -0.58 . . . . 1.0 109.784 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.557 ' CG1' ' O ' ' A' ' 63' ' ' SER . 1.1 m -109.06 19.42 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.587 HG11 ' CE1' ' A' ' 69' ' ' HIS . 45.3 t -139.87 -49.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.587 ' CE1' HG11 ' A' ' 68' ' ' VAL . 1.4 m80 -101.96 39.52 1.46 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -114.91 97.07 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -92.28 -8.68 44.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.7 -158.17 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.151 . . . . 1.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 136.53 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 mt -140.07 -170.11 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' N ' ' O2A' ' A' ' 251' ' ' HEM . 55.2 mmtt -89.92 -17.5 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 1.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.444 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 29.7 m80 -139.54 -172.5 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.661 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -94.26 136.82 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.45 173.0 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.503 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.5 m -75.96 -70.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.68 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -68.92 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.401 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 39.3 t -53.37 -48.1 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.417 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 25.9 m170 -48.5 -50.94 29.7 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.739 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -45.32 71.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 1.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 12.8 mttp -68.81 -31.84 71.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.8 t -64.8 -61.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 35.6 m -53.39 -21.14 3.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.326 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.5 -35.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.21 -36.53 12.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -121.41 93.26 48.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.04 11.48 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.346 . . . . 1.0 109.601 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -98.4 -6.13 31.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 1.0 110.353 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.8 mt -112.87 0.65 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -54.39 -29.88 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 11.64 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.3 m-20 -128.45 -44.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.592 HD12 ' C4D' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -104.06 49.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 162.74 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.432 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.3 129.67 28.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -78.84 -50.24 11.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.55 130.5 54.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 67.36 57.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.6 p -126.01 164.23 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 1.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.71 43.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.15 -70.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 108.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -87.62 112.7 50.3 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.656 ' C3A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.421 ' C4C' ' HB3' ' A' ' 51' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.592 ' C4D' HD12 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.555 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.771 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 122.094 0.95 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ALA . 51.2 Cg_exo -48.0 176.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.275 3.317 . . . . 1.0 109.611 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' VAL . . . -83.97 118.94 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.362 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' ALA . 5.4 p -38.69 127.99 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.616 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 52.1 Cg_exo -56.82 135.12 68.83 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.346 3.364 . . . . 1.0 109.605 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -65.38 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 125.26 87.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -35.49 137.02 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.363 3.376 . . . . 1.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -112.83 138.32 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 147.24 26.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.7 t -113.6 60.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -46.11 139.58 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.27 -126.41 2.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 p -71.25 -57.96 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 1.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.88 30.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -139.71 145.8 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 1.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -119.26 124.91 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 1.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.62 121.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.42 153.92 40.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.614 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 46.6 t80 -143.78 95.19 5.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 1.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 11.6 Cg_exo -70.48 122.5 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.31 3.34 . . . . 1.0 109.611 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -75.3 -23.21 57.32 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.135 0.897 . . . . 1.0 109.755 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.654 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -47.79 -67.69 0.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.654 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -43.4 -52.64 4.89 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.305 3.337 . . . . 1.0 109.621 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -85.8 54.03 2.98 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.209 0.943 . . . . 1.0 109.74 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.0 mt-10 -95.36 -27.43 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -84.99 -43.63 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.63 123.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.92 151.43 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -73.63 -29.92 62.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 108.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.416 HG11 ' N ' ' A' ' 32' ' ' THR . 2.5 p -67.9 -25.13 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.416 ' N ' HG11 ' A' ' 31' ' ' VAL . 55.0 m -63.29 -41.58 98.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 110.376 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 12.4 m -97.53 -56.37 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -79.96 61.75 3.95 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.752 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.8 p80 -42.73 164.98 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.101 0.876 . . . . 1.0 109.75 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.5 pp -113.13 133.33 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' GLY . 2.5 t -109.95 149.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 42.08 28.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 1.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 37' ' ' VAL . . . 56.35 40.4 85.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.145 . . . . 1.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.0 mttm -128.63 84.62 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LYS . 27.5 tt0 -36.59 134.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.66 170.3 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' SER . 46.0 m-85 -153.95 48.91 0.64 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.812 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.82 177.82 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -55.82 161.57 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 55.8 m -93.5 25.12 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.22 57.77 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.2 m -103.44 145.86 29.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 0.777 . . . . 1.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.4 m -36.63 126.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 1.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.2 3.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -90.37 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.016 . . . . 1.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 32.0 m-70 -65.71 60.61 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -81.73 -10.86 59.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -92.6 111.69 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -102.79 -37.02 8.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.5 m -63.88 -60.88 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.48 158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -65.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.582 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 1.3 mmtp -94.42 164.81 12.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.96 147.75 8.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 1.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.52 -5.33 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 1.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 8.43 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.02 137.63 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 1.0 109.955 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.9 tp -82.29 -27.25 32.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.806 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 17.4 t80 -78.15 -42.98 30.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.582 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 36.1 t80 -59.72 -13.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.878 -0.582 . . . . 1.0 109.814 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.528 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 30.9 m -115.84 48.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.528 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 41.1 t -160.4 -50.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.806 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 50.6 m80 -91.57 -44.93 8.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.774 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -35.49 111.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.08 0.07 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.02 -158.66 13.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.47 -168.72 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -84.82 -24.79 28.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 67.0 m-70 -130.42 -172.6 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.605 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.93 122.84 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -84.42 171.96 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.5 m -69.0 -73.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' CYS . 2.7 mp -40.42 -33.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.9 t -53.66 -61.36 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -36.45 -49.49 0.73 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.751 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 87' ' ' VAL . 9.8 t -55.87 -49.26 73.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.039 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.447 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 13.4 mttp -65.81 -32.83 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 88' ' ' ALA . 2.7 t -66.63 -66.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.413 HG21 ' O ' ' A' ' 84' ' ' SER . 16.3 m -50.41 -22.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.44 -36.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.66 -40.92 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.9 91.57 39.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.41 7.29 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.26 3.306 . . . . 1.0 109.642 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.85 -3.69 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 1.0 110.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.3 mt -114.62 0.04 13.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.475 ' HG3' ' CG2' ' A' ' 98' ' ' THR . 4.4 ttpt -58.05 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.04 -19.79 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.526 ' CB ' HD23 ' A' ' 97' ' ' LEU . 7.9 m-20 -101.29 -42.27 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.58 ' N ' ' CD2' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -105.79 53.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.92 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 110.444 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -53.33 128.23 38.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 47.5 m -76.95 -49.37 15.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.75 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 51.49 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 62.3 p -122.7 164.12 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 1.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.09 21.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.66 -72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -83.55 113.55 47.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 N--CA 1.448 -1.196 0 C-N-CA 124.276 3.317 . . . . 1.0 109.565 179.862 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.616 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.526 ' C2A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.572 ' C4B' ' HB3' ' A' ' 79' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.414 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.782 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 122.102 0.953 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.524 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.3 Cg_endo -48.66 173.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.374 3.383 . . . . 1.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.85 136.9 33.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 1.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.5 p -60.81 122.79 71.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.61 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 53.8 Cg_exo -56.02 138.11 81.38 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.338 3.359 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.42 -67.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 22.6 pttt -56.63 125.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -36.33 123.62 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.36 3.374 . . . . 1.0 109.559 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.466 HG11 ' CGA' ' A' ' 233' ' ' HEM . 35.8 m -99.7 144.17 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -95.62 140.83 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.371 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 81.1 t -107.27 64.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 109.344 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.24 144.64 3.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 -124.66 2.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 1.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -78.86 -50.9 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 1.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.26 27.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -137.41 154.52 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.5 m -128.49 128.06 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.397 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -129.18 122.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.62 150.91 41.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 46.1 t80 -141.9 93.23 7.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 8.2 Cg_exo -72.12 120.0 6.53 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 1.0 109.62 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.402 ' CE1' ' HE2' ' A' ' 20' ' ' PHE . 5.9 m80 -70.8 -25.46 62.87 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.178 0.924 . . . . 1.0 109.789 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.66 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -46.43 -67.05 0.42 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.66 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 52.6 Cg_exo -44.32 -41.21 13.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 1.0 109.585 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -99.78 54.18 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.132 0.895 . . . . 1.0 109.706 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.56 39.89 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -46.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.5 t -69.73 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 109.31 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.62 156.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.4 m -75.81 -28.63 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.09 -24.18 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 26.4 m -62.55 -50.98 69.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 1.0 110.399 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -91.33 -54.6 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.0 108.276 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.5 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.7 m-70 -80.27 78.93 6.91 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.769 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.7 p80 -63.05 155.34 28.0 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.134 0.896 . . . . 1.0 109.77 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.4 mt -74.3 146.32 43.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.8 t -106.2 104.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.34 43.7 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 1.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 36.72 93.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -142.78 124.45 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -52.1 139.75 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -150.16 160.72 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 1.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 48.9 m-85 -156.44 45.94 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.83 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.64 174.62 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.63 159.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 57.0 m -94.86 24.23 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 1.0 108.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.17 57.91 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.572 1.17 . . . . 1.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.69 152.99 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 1.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -42.79 124.74 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.14 -36.52 4.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 1.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -92.01 -146.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 33.4 m-70 -65.77 60.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -69.24 -38.15 78.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.314 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' A' ' 63' ' ' SER . 31.2 t0 -72.97 124.96 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.35 4.96 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -103.3 -54.17 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 1.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.4 151.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -32.01 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.63 146.17 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 1.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.7 144.32 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 1.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.31 -1.95 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 1.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.75 7.08 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.598 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.4 OUTLIER -99.36 147.6 25.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.157 . . . . 1.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 53.2 tp -91.51 -24.82 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.457 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 49.7 t80 -76.21 -39.85 53.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.796 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 31.4 t80 -67.58 -1.86 5.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.956 -0.545 . . . . 1.0 109.832 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.638 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 1.5 m -114.37 17.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.438 HG11 ' CE1' ' A' ' 69' ' ' HIS . 38.4 t -135.21 -49.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 1.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.457 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 1.8 m80 -102.4 38.48 1.68 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.756 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.29 99.56 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -8.15 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 1.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.21 -159.28 10.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 1.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.02 136.46 33.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 1.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.539 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -141.05 -169.13 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -22.86 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 60.3 m-70 -134.85 -174.15 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.3 m -96.22 128.97 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.9 m -91.63 169.05 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.969 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.438 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -67.86 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 1.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -49.05 -22.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.417 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -74.56 -49.39 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.587 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 35.9 t -92.49 30.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.473 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.5 m170 -130.34 -51.88 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.047 -0.979 . . . . 1.0 109.769 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 52.9 p -69.39 -27.28 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.024 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.527 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 23.2 mttt -89.37 -30.67 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -61.05 -40.95 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 1.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 30.4 m -63.97 -20.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.66 -38.02 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.34 -26.92 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.93 84.1 54.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.5 8.84 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.309 3.34 . . . . 1.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -5.43 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 1.0 110.334 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.79 1.29 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' O ' ' OG1' ' A' ' 98' ' ' THR . 1.0 OUTLIER -56.37 -18.16 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -109.42 37.62 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -155.84 -44.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.607 HD12 ' C4D' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -99.41 24.04 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 94' ' ' LYS . 0.6 OUTLIER -162.23 -43.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -36.61 127.59 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 1.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.41 -43.55 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.22 135.29 54.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.11 51.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 10.1 p -121.28 165.15 15.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 1.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -20.69 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.445 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m -96.12 -71.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 1.0 108.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.5 111.36 41.09 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.777 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.445 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 47.0 Cg_exo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.282 3.321 . . . . 1.0 109.614 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.61 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.414 ' CMC' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.607 ' C4D' HD12 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.557 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.784 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.055 0.931 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.26 169.47 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 124.243 3.295 . . . . 1.0 109.64 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.91 131.7 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.449 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -63.18 122.35 74.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.598 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 74.6 Cg_exo -53.97 138.72 70.22 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.322 3.348 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 -60.45 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 138.72 80.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.55 139.02 7.42 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.305 3.337 . . . . 1.0 109.59 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -108.73 139.06 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 1.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -82.14 126.9 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.9 t -96.88 57.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 1.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -43.88 140.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.73 -129.7 2.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 1.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 p -71.54 -58.9 3.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 1.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.33 35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -147.22 149.1 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -123.34 127.45 48.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.79 106.59 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.41 ' O ' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptt? -63.54 138.63 58.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.74 122.08 16.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.506 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -87.61 140.1 5.1 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.347 3.365 . . . . 1.0 109.586 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -89.39 -39.52 13.35 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.141 0.901 . . . . 1.0 109.739 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.68 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.59 -71.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 77.3 Cg_exo -37.49 -34.01 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.346 3.364 . . . . 1.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -104.05 49.73 0.81 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.141 0.901 . . . . 1.0 109.751 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 5.1 tt0 -111.04 42.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.238 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.416 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.8 t -60.62 134.78 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' VAL . 5.8 mt-10 -39.24 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.73 10.46 20.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.84 -5.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 m -73.66 -44.42 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.383 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -93.88 -59.27 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 108.342 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -78.95 81.17 5.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.786 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.592 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 11.6 p80 -71.48 149.8 45.48 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.154 0.909 . . . . 1.0 109.766 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.85 152.52 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.4 101.27 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t0 58.18 43.25 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.91 88.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 1.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -138.06 118.74 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 1.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -44.92 134.34 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -153.79 160.73 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 110.037 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 42' ' ' SER . 34.7 m-85 -155.07 30.26 0.4 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.845 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.93 -177.32 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.408 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -66.12 144.32 56.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.43 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 85.2 m -61.49 -32.83 72.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.47 57.62 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 1.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.5 m -93.89 139.86 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 1.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . 8.2 t -37.97 119.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.44 -32.05 7.32 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -97.47 -142.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.612 ' CE1' HG12 ' A' ' 67' ' ' VAL . 43.4 m-70 -64.4 62.05 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.79 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -68.56 -50.27 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 122.9 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -116.01 7.49 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -107.97 -60.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.02 146.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -28.9 12.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 140.68 47.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.4 141.78 5.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -1.41 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 1.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.65 7.78 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.61 141.36 32.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 1.0 109.983 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 68.2 tp -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.521 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 36.8 t80 -78.59 -41.7 31.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.52 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 22.3 t80 -66.03 -7.59 18.21 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.951 -0.547 . . . . 1.0 109.829 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' CE1' ' A' ' 52' ' ' HIS . 10.7 m -111.87 35.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 91.9 t -156.87 -47.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.521 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.8 m80 -101.08 26.96 6.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . . . -97.94 108.77 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -92.28 -32.66 14.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -56.57 -160.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.44 1.087 . . . . 1.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.407 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 tt0 -100.99 142.14 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 1.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.52 HD22 ' CZ ' ' A' ' 66' ' ' TYR . 2.0 mt -143.41 -171.81 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -26.01 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.592 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -131.93 -167.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 109.612 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.56 124.29 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 1.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -74.5 176.3 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 110.014 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.3 m -76.65 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.93 -22.39 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.55 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.95 -57.4 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.0 108.265 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.444 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 62.7 m170 -39.62 -51.21 2.27 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.788 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -52.89 43.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.2 mtpt -64.04 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.74 -59.01 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.57 -19.11 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.6 -40.58 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.28 -43.51 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 89' ' ' GLU . 2.1 mmmt -117.17 95.26 46.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.65 15.56 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.325 3.35 . . . . 1.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.69 -7.55 25.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 96' ' ' ASP . 61.2 mt -109.02 -1.06 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.417 ' O ' ' OG1' ' A' ' 98' ' ' THR . 4.2 ttmt -54.26 -27.57 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.7 15.3 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' LEU . 79.6 m-20 -134.65 -44.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.595 HD13 ' C4D' ' A' ' 282' ' ' HEM . 3.6 mm? -96.21 30.59 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.4 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.39 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.36 130.75 0.92 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.442 1.089 . . . . 1.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.4 m -81.34 -45.54 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.67 131.53 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.1 mttt 67.1 51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 12.9 p -119.65 163.24 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 1.0 110.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 14.7 mmmt -55.27 -22.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.42 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.0 OUTLIER -92.44 -74.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.92 112.19 43.4 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.42 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.7 Cg_exo . . . . . 0 N--CA 1.447 -1.24 0 C-N-CA 124.301 3.334 . . . . 1.0 109.631 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.598 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.535 ' CHA' ' O1A' ' A' ' 251' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.595 ' C4D' HD13 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.544 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -51.14 172.27 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.351 3.368 . . . . 1.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.11 117.9 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.0 109.311 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.2 p -40.1 127.38 1.66 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.645 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 50.2 Cg_exo -58.12 145.18 93.45 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.331 . . . . 1.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -69.71 135.12 88.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.28 149.19 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 1.0 109.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.05 143.88 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -88.45 137.94 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.259 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.432 HG22 ' CGD' ' A' ' 233' ' ' HEM . 86.6 t -104.49 59.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 143.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.4 -123.46 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 p -74.71 -55.58 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 1.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.84 24.31 0.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -132.68 157.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.9 m -135.08 108.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 1.0 110.391 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 118.61 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmt -70.43 149.85 46.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -140.87 118.41 7.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 44.8 Cg_endo -86.25 128.68 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.284 3.323 . . . . 1.0 109.583 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.62 -33.9 25.21 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.14 0.9 . . . . 1.0 109.751 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.68 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -44.78 -71.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.68 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 60.5 Cg_exo -38.19 -31.66 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -104.07 51.07 0.78 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.159 0.912 . . . . 1.0 109.748 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -110.87 40.22 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.35 -46.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.3 t -60.29 143.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' VAL . 6.4 mt-10 -46.1 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 t -102.01 10.04 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 108.319 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -3.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.0 m -72.59 -45.78 57.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 1.0 110.386 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 13.0 m -94.53 -58.44 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.7 73.52 3.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.784 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 7.2 p80 -58.57 154.4 14.33 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.221 0.951 . . . . 1.0 109.75 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.01 151.0 31.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.7 t -114.6 97.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 58.7 51.61 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.48 42.29 75.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 1.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.28 111.19 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 1.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.9 tt0 -53.25 140.36 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.06 164.3 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 42' ' ' SER . 50.0 m-85 -155.5 30.96 0.38 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.798 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.15 177.11 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -59.29 141.51 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 75.2 m -61.36 -32.02 71.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 1.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -113.67 57.86 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 1.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.9 m -94.38 143.69 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' SER . 53.4 p -38.39 125.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.28 -38.95 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 1.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.3 m -89.84 -142.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.566 ' CE1' HG12 ' A' ' 67' ' ' VAL . 38.7 m-70 -65.38 59.16 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.781 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.35 -49.38 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -61.64 120.77 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -116.24 3.27 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ALA . 92.3 m -102.65 -58.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' THR . . . -39.22 157.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -94.26 -58.83 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -102.43 156.66 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.28 139.88 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -4.8 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 1.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -109.34 9.9 25.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.43 138.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.953 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.4 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 49.4 tp -80.54 -35.59 34.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.69 -43.53 93.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.816 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.535 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 18.7 t80 -61.82 -15.96 46.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.566 HG12 ' CE1' ' A' ' 52' ' ' HIS . 16.2 m -112.81 43.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 39.6 t -152.03 -49.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 3.7 m80 -110.17 40.97 1.83 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.779 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 78' ' ' SER . . . -108.2 114.87 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -106.73 1.79 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.5 -162.2 34.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 13.2 pt-20 -97.56 137.01 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -140.94 -167.45 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -79.26 -23.61 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 78.0 m-70 -137.1 -177.91 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -80.96 129.51 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -69.36 179.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.977 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.413 ' HB3' ' HA ' ' A' ' 68' ' ' VAL . 40.8 t -83.12 -62.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.3 tp -66.44 -8.91 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.06 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.598 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 14.9 t -93.03 34.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 1.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.624 ' CE1' ' CD1' ' A' ' 97' ' ' LEU . 1.6 m-70 -141.13 -43.79 0.38 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.5 t -73.54 -19.25 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 1.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.7 mttp -99.62 -38.31 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.67 -38.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.2 m -65.89 -23.69 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.48 -32.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 1.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -122.88 85.8 50.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.08 5.51 2.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.302 3.335 . . . . 1.0 109.591 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 -4.24 38.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.459 HD11 ' CGD' ' A' ' 282' ' ' HEM . 21.6 mt -112.45 -1.04 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 11.8 tttm -54.93 -30.56 58.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.98 36.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -155.86 -43.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.624 ' CD1' ' CE1' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -102.69 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.512 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.09 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -47.26 131.0 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.556 1.16 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.3 -51.26 11.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 132.39 53.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 mttm 65.49 58.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 30.3 p -126.34 165.2 19.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.47 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 9.3 mmmt -58.19 -16.98 15.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 56.6 m -96.4 -73.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.94 113.71 47.47 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.704 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.269 3.313 . . . . 1.0 109.593 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.645 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.494 ' CGA' ' CG1' ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.598 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.99 178.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.91 117.63 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -39.85 127.74 1.55 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.568 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 54.7 Cg_exo -56.39 138.08 82.61 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.322 3.348 . . . . 1.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.03 16.83 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 122.37 15.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -37.68 117.63 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.76 141.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -92.49 130.64 38.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.81 67.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -51.6 139.03 21.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.35 -130.66 3.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 1.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -69.5 -55.46 10.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 1.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -160.11 26.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -136.46 152.01 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -124.54 133.59 53.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.503 HG21 ' C2D' ' A' ' 305' ' ' HEM . 16.0 t -132.5 108.47 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -66.82 139.73 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 48.6 t80 -128.83 120.19 20.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.545 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -88.74 134.08 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.592 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -84.65 -38.41 19.87 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.124 0.89 . . . . 1.0 109.759 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.648 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -42.79 -68.86 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 1.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.648 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 76.0 Cg_exo -41.47 -33.13 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.316 3.344 . . . . 1.0 109.597 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -107.56 50.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.067 0.854 . . . . 1.0 109.8 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 3.7 tm-20 -112.45 42.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.329 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -143.01 -45.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 1.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 45.3 t -58.59 136.8 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 3.4 mt-10 -38.6 158.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.9 11.36 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 1.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.13 -2.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -76.83 -45.16 29.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.0 110.379 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.85 -60.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 1.0 108.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.12 74.29 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.724 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.5 p80 -61.68 148.15 43.61 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.156 0.91 . . . . 1.0 109.808 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.23 150.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.413 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 1.8 t -111.68 95.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.65 51.02 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.37 94.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.87 119.14 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 1.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -50.31 138.14 17.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.35 161.5 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.5 m-85 -157.88 37.85 0.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.828 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.54 173.18 9.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.428 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.63 153.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 23.3 m -83.84 32.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -170.51 55.74 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -102.6 145.47 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 1.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -38.68 121.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -40.08 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.1 m -87.78 -143.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 28.2 m-70 -66.07 58.41 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.807 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -68.8 -44.6 73.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -65.27 121.63 15.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.65 0.84 14.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.102 . . . . 1.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.1 m -97.82 -58.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.49 152.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.34 -41.47 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 147.22 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.22 141.07 4.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 1.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -72.09 -5.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 1.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -106.78 8.04 30.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.12 141.97 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 1.0 110.001 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.2 tp -82.39 -28.73 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.09 -40.79 74.76 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -59.88 -12.35 7.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.921 -0.561 . . . . 1.0 109.821 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.7 ' O ' ' CG2' ' A' ' 67' ' ' VAL . 0.2 OUTLIER -119.88 54.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.583 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 5.2 t -165.36 -47.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.583 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 8.6 m80 -112.89 29.38 8.02 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.755 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.8 113.39 26.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.315 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -107.0 4.43 27.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 1.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.57 -158.03 31.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 136.22 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 1.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -139.99 -168.38 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -83.68 -20.92 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 48.5 m-70 -130.54 -171.9 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 126.19 48.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 1.5 m -89.5 170.41 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.27 -67.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.476 ' CD2' ' O ' ' A' ' 68' ' ' VAL . 3.3 mm? -46.0 -31.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -65.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 45.4 t -53.85 -65.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 82' ' ' CYS . 63.6 m170 -34.32 -53.77 0.51 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.785 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.414 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.6 OUTLIER -52.4 -50.44 62.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.007 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 82' ' ' CYS . 91.2 mttt -66.02 -31.21 71.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.58 -63.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.414 HG22 ' O ' ' A' ' 84' ' ' SER . 19.3 m -52.98 -20.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -46.06 -30.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.265 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.26 -34.47 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.52 85.91 48.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 4.54 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.341 3.361 . . . . 1.0 109.609 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -10.94 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.48 -3.21 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.501 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.1 OUTLIER -55.24 -18.71 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 28.67 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.07 -44.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.611 HD11 ' C4D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -92.82 18.56 8.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -165.36 -41.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -29.3 128.33 0.1 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 1.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -77.91 -45.09 25.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.38 139.6 49.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.83 45.99 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -114.55 166.01 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 0.6 OUTLIER -57.21 -18.79 17.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.44 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.2 m -96.07 -67.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 108.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -94.2 108.96 39.51 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.757 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.44 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 42.6 Cg_exo . . . . . 0 N--CA 1.447 -1.247 0 C-N-CA 124.326 3.351 . . . . 1.0 109.583 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.568 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.632 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.611 ' C4D' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.554 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.777 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 122.041 0.924 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.35 171.94 14.16 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.272 3.315 . . . . 1.0 109.582 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.62 126.6 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.467 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.12 121.96 59.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.582 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 52.4 Cg_exo -58.98 136.98 77.11 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.365 3.377 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.14 -61.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.16 119.89 68.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -35.97 136.65 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.582 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.35 139.67 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 129.84 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 1.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.28 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -42.35 131.43 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.14 -140.73 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 1.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -56.61 -29.9 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 1.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -172.06 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 164.73 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -134.95 118.55 16.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.2 112.29 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' MET . 8.7 ptm -69.55 143.54 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 1.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.682 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 61.2 t80 -130.49 117.29 17.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.518 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.1 Cg_endo -88.34 133.53 2.8 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.303 3.335 . . . . 1.0 109.598 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 1.8 m80 -86.29 -38.47 17.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.107 0.879 . . . . 1.0 109.782 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.67 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -42.62 -70.8 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.67 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 76.4 Cg_exo -37.68 -31.28 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.328 3.352 . . . . 1.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.421 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 71.6 m80 -105.32 50.72 0.77 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.165 0.916 . . . . 1.0 109.726 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.581 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.6 tt0 -107.95 43.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.54 -46.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.9 t -72.21 123.28 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -39.38 155.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.487 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.3 m -74.76 -29.42 61.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.3 -31.82 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.4 m -54.05 -50.1 67.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.479 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 3.9 m -89.12 -51.02 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.487 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.8 m-70 -87.55 71.99 9.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.813 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.467 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 2.4 p80 -52.81 172.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.107 0.879 . . . . 1.0 109.801 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.1 pp -118.55 136.46 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.8 t -113.62 136.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 45.86 39.3 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 53.47 30.61 41.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -120.4 84.36 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -37.76 136.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -138.31 165.36 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 109.966 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 31.3 m-85 -154.89 32.76 0.4 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.04 173.84 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.48 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -44.14 159.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 69.4 m -93.28 21.8 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.331 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.03 59.35 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -99.7 163.75 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 1.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.8 p -49.54 122.92 6.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -35.31 4.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.6 m -90.77 -149.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.611 ' CE1' HG13 ' A' ' 67' ' ' VAL . 14.7 m-70 -65.62 60.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.761 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -75.2 -51.01 14.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 5.3 t70 -46.7 128.1 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 11.2 mt -119.5 10.44 11.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -59.26 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -44.93 137.32 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -34.53 14.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -111.44 143.02 42.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.41 146.95 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.86 3.43 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 1.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.417 ' C ' ' HA ' ' A' ' 52' ' ' HIS . 9.0 mtpt -106.76 7.42 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' SER . . . . . 0.409 ' OG ' ' O ' ' A' ' 57' ' ' ALA . 1.0 OUTLIER -102.03 141.86 34.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 ' O ' HG21 ' A' ' 67' ' ' VAL . 62.8 tp -82.64 -12.56 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -85.8 -43.13 13.58 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.837 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.481 ' O ' ' CB ' ' A' ' 70' ' ' ALA . 8.6 t80 -60.76 -12.63 11.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG13 ' CE1' ' A' ' 52' ' ' HIS . 3.5 m -112.1 46.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.569 HG12 ' CE1' ' A' ' 69' ' ' HIS . 16.9 t -160.77 -48.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.569 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.8 m80 -107.89 29.38 7.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.77 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -98.5 97.97 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -94.88 -9.02 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.4 -157.34 8.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 1.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.29 138.75 31.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 70' ' ' ALA . 5.4 mt -143.09 -171.63 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -18.01 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.3 m80 -135.53 -175.93 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 1.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m -93.51 131.93 38.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 170.45 9.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -74.15 -71.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 108.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 1.4 tp -47.2 -23.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -70.06 -67.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.4 t -49.14 -57.81 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 108.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -39.91 -38.88 0.75 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.759 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.46 -58.44 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 110.005 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.491 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 88' ' ' ALA . 36.2 t -64.89 -65.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 90' ' ' LYS . 35.8 m -47.34 -24.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.96 -33.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -92.58 -36.09 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' VAL . 1.8 mtmm -124.25 85.58 55.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.37 3.67 3.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.277 3.318 . . . . 1.0 109.577 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -2.77 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.8 mt -116.14 2.23 13.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -37.11 85.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -10.64 49.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 6.3 m-20 -112.53 -33.33 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.573 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -108.21 49.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.37 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.427 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.72 131.27 31.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.5 -51.14 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.87 132.83 53.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.3 mttp 67.99 52.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 51.7 p -123.04 164.4 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.441 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 1.6 mmmm -55.43 -31.5 61.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -95.76 109.19 44.86 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.76 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.448 -1.182 0 C-N-CA 124.3 3.333 . . . . 1.0 109.615 179.852 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.682 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.489 ' CGA' ' CG1' ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.573 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.786 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 122.114 0.959 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 43' ' ' TYR . 12.2 Cg_endo -51.52 171.79 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.314 3.342 . . . . 1.0 109.567 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.19 124.1 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.52 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 p -58.87 129.68 85.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.566 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 61.7 Cg_exo -56.05 137.34 78.94 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.339 3.359 . . . . 1.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -70.34 126.77 92.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -35.57 139.1 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.304 3.336 . . . . 1.0 109.567 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.11 140.83 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -84.18 142.36 30.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 69.6 t -111.45 52.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -39.71 145.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.13 -126.63 2.23 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.1 p -69.09 -57.18 5.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.766 . . . . 1.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.9 25.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 1.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.13 145.17 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 17.6 m -122.14 113.84 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.5 t -117.05 119.65 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.354 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -74.65 150.94 39.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -134.48 118.26 13.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.543 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 37.8 Cg_endo -88.83 130.05 2.15 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.28 3.32 . . . . 1.0 109.625 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' ND1' ' HB2' ' A' ' 5' ' ' PRO . 4.5 m80 -84.05 -29.74 26.62 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.121 0.888 . . . . 1.0 109.789 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.632 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -48.2 -64.41 1.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.632 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 95.2 Cg_exo -41.51 -53.14 3.36 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -89.95 52.53 2.31 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.128 0.892 . . . . 1.0 109.76 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -30.96 18.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' NZ ' ' O1D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -81.44 -39.13 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.84 124.66 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -55.17 161.61 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.4 m -82.64 -29.47 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.23 -23.55 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.5 m -66.84 -44.77 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.5 m -94.64 -56.4 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.2 m-70 -79.99 69.8 6.44 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.697 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.1 p80 -56.04 143.06 33.92 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.123 0.889 . . . . 1.0 109.783 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.35 150.19 46.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.5 t -108.51 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 54.87 46.45 24.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.31 35.54 88.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 1.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 138.17 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 1.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' HG2' ' N ' ' A' ' 42' ' ' SER . 8.0 tt0 -59.87 140.73 56.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -156.04 171.6 19.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 1.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.6 m-85 -155.09 -72.65 0.12 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.798 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 33.8 -148.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.499 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.1 OUTLIER -107.06 170.06 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 59.5 m -89.99 22.48 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.9 59.27 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.1 m -104.42 145.68 29.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 1.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 74.7 p -37.58 125.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 1.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -39.52 2.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 1.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -91.33 -143.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.58 ' CE1' HG11 ' A' ' 67' ' ' VAL . 28.8 m-70 -65.19 61.06 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.75 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -75.43 -41.87 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.422 ' OD1' ' CB ' ' A' ' 57' ' ' ALA . 13.7 t0 -63.89 116.32 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 3.5 mt -105.88 -34.36 7.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.5 m -63.94 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 1.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' CB ' ' OD1' ' A' ' 54' ' ' ASP . . . -41.91 157.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -71.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -83.45 169.7 15.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.33 141.95 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 1.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.74 -6.92 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -110.55 14.14 22.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.58 142.14 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.975 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.53 -31.97 32.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -69.13 -44.44 72.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.623 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 16.1 t80 -59.46 -18.42 39.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.862 -0.59 . . . . 1.0 109.809 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.584 HG12 ' C3A' ' A' ' 251' ' ' HEM . 27.7 m -110.41 48.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.554 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 18.4 t -161.32 -49.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 3.9 m80 -109.2 35.14 3.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.727 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -107.83 103.47 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -93.48 -8.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.15 -159.83 9.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -94.42 137.16 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 1.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.623 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.1 mt -140.78 -171.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -79.7 -26.45 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 63.9 m-70 -128.49 -172.2 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.575 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -98.18 125.88 43.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.396 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.75 170.81 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.534 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -74.58 -68.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 108.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.9 mp -46.36 -32.48 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.273 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.2 -66.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.9 t -53.7 -49.07 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 1.0 108.282 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 86' ' ' VAL . 44.6 m170 -49.26 -59.8 3.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.781 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -46.27 -38.12 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.49 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -73.99 -32.68 63.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.501 HG13 ' CD1' ' A' ' 97' ' ' LEU . 78.6 t -64.77 -59.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 1.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 94' ' ' LYS . 20.9 m -53.87 -21.94 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.98 -33.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.74 -42.56 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -112.98 93.39 24.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.83 8.47 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 1.0 109.572 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -3.64 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.279 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.06 4.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.479 ' CD ' ' OG1' ' A' ' 98' ' ' THR . 0.7 OUTLIER -61.93 -27.61 68.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -90.79 16.34 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.42 -44.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.612 ' CD2' ' CHA' ' A' ' 282' ' ' HEM . 36.1 mt -78.55 -40.71 34.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 94' ' ' LYS . 30.9 p -118.05 -17.76 9.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -35.74 128.52 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 1.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.424 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.3 m -84.73 -51.37 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.58 134.11 50.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.4 49.14 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 3.9 p -114.33 165.83 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 8.9 mmmt -57.84 -19.85 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.467 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.5 OUTLIER -94.95 -72.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 1.0 108.327 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.453 ' HA ' ' HD3' ' A' ' 107' ' ' PRO . 97.5 m-70 -85.38 110.4 28.87 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.467 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 19.2 Cg_exo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.566 ' C4A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.584 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.612 ' CHA' ' CD2' ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.534 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.774 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 122.087 0.946 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.56 171.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.293 3.329 . . . . 1.0 109.622 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.33 126.79 32.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 p -54.47 129.23 61.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.598 ' HG2' ' C3A' ' A' ' 233' ' ' HEM . 50.6 Cg_exo -57.15 149.74 61.52 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.338 3.359 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.54 -73.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 125.43 59.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -35.28 118.67 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 HG11 ' CGA' ' A' ' 233' ' ' HEM . 29.8 m -92.01 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -102.54 144.37 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.44 HG23 ' CGD' ' A' ' 233' ' ' HEM . 76.7 t -112.03 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -43.46 144.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.02 -128.18 2.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 1.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 p -71.89 -55.94 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 1.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.32 26.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -135.4 157.13 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -129.13 125.62 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG13 ' SG ' ' A' ' 105' ' ' CYS . 25.6 t -126.57 121.22 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.2 mmt -75.45 151.28 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 26.5 t80 -138.75 115.26 8.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.484 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 40.6 Cg_endo -83.48 131.79 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.315 3.343 . . . . 1.0 109.627 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -87.83 -38.11 15.97 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.077 0.861 . . . . 1.0 109.747 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.607 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . . . -44.53 -65.56 0.6 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.607 ' HD3' ' CB ' ' A' ' 23' ' ' ALA . 82.7 Cg_exo -38.46 -50.62 2.3 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.316 3.344 . . . . 1.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -89.02 50.94 2.04 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.178 0.924 . . . . 1.0 109.795 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -89.21 -28.43 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -39.99 28.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.465 HG12 ' CMC' ' A' ' 233' ' ' HEM . 77.1 t -52.71 129.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 7.4 mt-10 -45.88 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.92 -0.57 36.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 1.0 108.209 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.91 0.43 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.3 m -78.72 -43.66 25.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 1.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.24 -61.19 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 108.362 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.57 74.26 1.47 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.795 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -67.1 134.79 52.51 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.19 0.931 . . . . 1.0 109.773 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.6 mt -47.4 146.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 37' ' ' VAL . 2.2 t -98.73 87.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 63.28 43.5 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.7 31.64 70.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 1.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -138.21 120.69 16.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 1.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.68 134.97 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -152.25 164.99 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.0 110.007 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 70.4 m-85 -158.19 35.04 0.24 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.878 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.04 175.77 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 161.73 6.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 42.4 m -87.76 29.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 1.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.44 55.9 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 1.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -101.84 145.57 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 1.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' SER . 59.9 p -37.94 124.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.26 -37.54 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 1.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -90.76 -145.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.002 . . . . 1.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 34.4 m-70 -65.35 59.56 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.723 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -70.52 -41.45 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 14.1 t0 -68.66 119.77 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 1.04 13.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.6 m -100.42 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.05 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -83.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.84 168.28 20.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.42 137.59 5.55 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -5.61 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 1.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.62 6.92 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -97.25 140.48 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.947 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 55.2 tp -83.99 -22.44 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -77.2 -41.62 40.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.846 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.571 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 23.4 t80 -67.8 -4.28 12.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.932 -0.556 . . . . 1.0 109.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.572 HG11 ' C4A' ' A' ' 251' ' ' HEM . 6.0 m -116.07 29.06 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.553 HG13 ' CE1' ' A' ' 69' ' ' HIS . 5.6 t -143.84 -50.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.553 ' CE1' HG13 ' A' ' 68' ' ' VAL . 3.5 m80 -104.05 28.71 6.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.786 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 66' ' ' TYR . . . -101.55 90.93 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -88.16 -17.15 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.2 -156.87 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 1.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.44 135.41 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 3.9 mt -143.31 -170.22 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -91.35 -23.33 20.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -127.53 -169.51 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 m -103.71 121.41 42.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 49.4 m -85.03 168.53 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 1.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -67.59 -67.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 108.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 83' ' ' HIS . 6.2 mp -44.98 -25.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.429 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -69.92 -50.98 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.583 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 37.3 t -93.61 31.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 80' ' ' LEU . 2.4 m170 -131.67 -51.47 0.99 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.735 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 22.3 p -67.84 -25.29 65.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.024 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.517 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.2 mptp? -90.76 -33.33 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.71 -44.14 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.4 m -60.26 -22.47 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.34 -34.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.78 -41.85 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -122.48 86.14 48.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.91 1.94 4.07 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.341 3.361 . . . . 1.0 109.62 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -3.75 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 1.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.58 0.63 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 1.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.445 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -55.38 -25.74 37.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.444 ' CE ' ' O ' ' A' ' 101' ' ' ALA . 10.4 tptm -99.71 38.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 1.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.38 -50.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.562 HD11 ' C4D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -78.2 -37.6 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.237 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -111.29 -49.47 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 1.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -19.72 128.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 1.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . 0.425 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 9.5 m -83.1 -53.49 5.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.444 ' O ' ' CE ' ' A' ' 95' ' ' LYS . . . -95.41 137.91 33.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.75 57.64 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.7 p -124.71 165.4 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 1.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 13.1 mmmt -58.92 -28.92 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.4 ' SG ' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -82.77 -77.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.326 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 94.7 m-70 -82.03 141.69 47.27 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.739 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.308 3.339 . . . . 1.0 109.581 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.598 ' C3A' ' HG2' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.572 ' C4A' HG11 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.583 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . 0.539 ' CMC' ' CBC' ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.779 ' H1 ' ' CA ' ' A' ' 1' ' ' ALA . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.482 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.7 Cg_endo -48.77 168.22 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.293 3.329 . . . . 1.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 132.99 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -62.36 125.99 86.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.317 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PRO . . . . . 0.591 ' HG2' ' C4A' ' A' ' 233' ' ' HEM . 72.8 Cg_exo -53.23 138.68 63.95 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.302 3.334 . . . . 1.0 109.613 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.8 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -67.72 131.46 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.3 140.71 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.248 3.298 . . . . 1.0 109.566 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.46 141.44 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 3.0 mm-40 -90.42 135.2 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.8 t -102.89 63.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -40.68 143.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.81 -123.4 2.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 1.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -85.85 -54.9 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 1.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.78 36.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -155.52 160.78 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.501 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -131.04 121.87 25.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 110.411 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.69 115.05 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -64.67 148.98 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 27.1 t80 -138.43 109.46 8.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.467 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 Cg_endo -81.34 124.54 4.81 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.309 3.34 . . . . 1.0 109.576 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -79.27 -37.97 36.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.129 0.893 . . . . 1.0 109.744 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.644 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . . . -43.2 -69.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 1.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.644 ' CD ' ' CB ' ' A' ' 23' ' ' ALA . 87.4 Cg_exo -33.99 -39.37 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.251 3.301 . . . . 1.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -100.31 54.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.131 0.894 . . . . 1.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.4 mm-40 -91.71 -33.36 15.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 1.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.0 -31.47 44.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' GLU . 63.8 t -59.89 128.27 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -46.45 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 1.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.75 -2.94 29.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.313 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.01 -2.6 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -77.27 -39.31 48.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.439 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 16.7 m -99.07 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.57 76.26 3.27 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.722 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.52 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 9.7 p80 -61.96 148.2 44.51 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.19 0.931 . . . . 1.0 109.808 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -66.09 150.98 47.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.24 103.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 55.05 45.89 25.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.04 32.06 82.91 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 1.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 133.11 36.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.21 134.27 56.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.12 163.04 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 55.1 m-85 -159.2 37.68 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.809 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.4 178.79 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' O ' ' OG ' ' A' ' 48' ' ' SER . 28.1 mttt -62.61 144.18 56.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.49 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 57.6 m -64.0 -34.86 78.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.29 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -106.39 54.76 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 1.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 45' ' ' LYS . 12.2 m -93.21 144.29 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 1.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -38.18 123.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 109.971 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.67 3.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.4 m -85.48 -144.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.998 . . . . 1.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 31.9 m-70 -65.39 58.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.781 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -69.26 -46.52 67.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -66.56 119.7 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 1.16 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 m -99.32 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 1.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.29 150.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.325 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.25 167.3 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.33 6.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 1.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.47 ' HB2' ' CAD' ' A' ' 251' ' ' HEM . 0.4 OUTLIER -71.32 -7.59 48.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 110.324 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 15.43 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.25 133.89 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.037 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 tp -77.59 -21.18 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -78.03 -40.7 37.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 12.4 t80 -61.15 -11.19 8.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.629 HG22 ' CHB' ' A' ' 251' ' ' HEM . 1.0 OUTLIER -124.47 57.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.628 ' CG1' ' CE1' ' A' ' 69' ' ' HIS . 5.2 t -163.39 -48.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.628 ' CE1' ' CG1' ' A' ' 68' ' ' VAL . 3.6 m80 -111.97 25.22 11.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.773 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.407 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -93.02 118.63 31.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -110.29 6.95 22.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.53 -155.43 31.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.162 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.17 139.57 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 1.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.9 -169.53 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' CG ' ' O2A' ' A' ' 251' ' ' HEM . 21.7 mmtt -80.36 -18.9 47.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.52 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 26.9 m80 -143.29 -171.93 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -96.49 129.99 43.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -87.85 170.98 10.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 1.0 110.018 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.494 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.1 m -69.88 -67.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 1.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.98 -23.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.38 -50.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' CYS . . . . . 0.629 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 42.5 t -92.59 36.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -133.7 -64.16 0.72 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.752 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -55.44 -19.63 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.994 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -96.29 -38.86 9.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 19.9 t -51.57 -38.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 94' ' ' LYS . 15.5 m -63.93 -22.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.02 -39.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.25 -25.47 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 87' ' ' VAL . 13.5 ptpt -126.79 85.99 59.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.23 8.79 3.08 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.244 3.296 . . . . 1.0 109.609 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 0.24 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 88.6 mt -122.74 7.1 9.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.465 ' HA ' ' CG1' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -58.03 -31.93 67.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.491 ' CD ' ' O ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.88 19.06 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' CB ' HD22 ' A' ' 97' ' ' LEU . 3.7 m-20 -130.57 -43.4 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.62 ' CD1' ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -106.57 51.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.26 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -52.08 132.54 37.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.53 -52.32 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.04 131.77 52.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 66.54 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.5 p -127.05 164.34 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.444 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 1.6 mmmm -56.03 -27.68 54.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.9 m -85.71 -68.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -88.28 112.45 49.75 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.303 3.335 . . . . 1.0 109.59 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' HEM . . . . . 0.633 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 251' ' ' HEM . . . . . 0.629 ' CHB' HG22 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 282' ' ' HEM . . . . . 0.629 ' C2C' ' HB3' ' A' ' 82' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 122.063 0.935 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.76 174.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.366 3.377 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.85 134.66 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.6 p -52.51 124.18 32.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.698 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.2 Cg_exo -56.36 138.91 85.54 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.253 3.302 . . . . 1.0 109.632 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 -65.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.267 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.21 130.13 93.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.65 140.87 2.63 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.84 140.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' HG21 ' A' ' 17' ' ' THR . 2.3 mm-40 -83.96 136.68 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' ' 11' ' ' VAL . 95.9 t -107.92 56.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -41.56 140.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.79 -125.17 2.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 1.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -70.47 -57.58 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 1.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.36 25.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -134.14 157.22 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.415 HG21 ' OE1' ' A' ' 10' ' ' GLU . 21.9 m -127.52 114.02 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 1.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.41 108.17 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -68.61 140.4 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -128.71 120.68 20.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.7 Cg_endo -86.64 135.84 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.332 3.355 . . . . 1.0 109.632 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.3 m80 -88.21 -37.33 16.2 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.161 0.913 . . . . 1.0 109.735 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.34 -69.85 0.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.7 Cg_exo -38.97 -41.08 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -100.68 43.13 1.07 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.146 0.904 . . . . 1.0 109.775 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.89 -27.12 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -83.24 -37.52 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.97 126.26 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.81 151.13 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.7 m -74.89 -28.05 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 108.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -67.41 -23.38 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 m -65.41 -44.75 86.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.21 -56.91 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.08 72.71 5.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.721 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.607 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 17.2 p80 -61.2 145.32 51.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.156 0.91 . . . . 1.0 109.756 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.82 149.25 31.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 1.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.38 115.0 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 49.71 37.58 13.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.73 34.17 77.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 1.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 147.6 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.35 135.6 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.618 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -148.04 166.06 28.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' SER . 69.5 m-85 -160.68 34.35 0.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.843 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.0 178.1 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.093 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -61.66 144.71 54.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.08 -31.87 71.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -115.23 58.72 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m -90.74 143.78 26.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 1.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -39.1 114.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 1.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.79 -41.76 2.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.2 m -85.89 -142.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.486 ' NE2' HG11 ' A' ' 67' ' ' VAL . 19.3 m80 -66.22 58.83 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.73 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.13 -44.67 52.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 109.268 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 42.3 t0 -61.54 119.27 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.94 0.67 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 1.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.5 m -98.41 -60.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -47.68 146.88 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -67.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.37 153.75 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.14 142.8 5.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 1.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -75.85 -1.54 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.58 9.99 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -100.89 126.17 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 1.0 110.044 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.14 -16.0 63.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -83.4 -43.33 16.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.528 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 9.6 t80 -61.25 -16.32 44.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.893 -0.575 . . . . 1.0 109.839 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -109.82 46.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 67' ' ' VAL . 12.3 t -161.79 -49.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.529 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -108.34 36.48 2.8 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.738 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -112.92 95.42 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.58 -15.42 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 -157.97 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 1.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -85.81 136.05 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 1.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' OG ' ' A' ' 78' ' ' SER . 5.9 mt -143.6 -171.2 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -93.21 -28.37 16.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.607 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 29.8 m80 -122.23 -171.99 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -99.05 125.15 44.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -85.5 165.23 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.0 110.0 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -71.24 -65.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 108.347 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.8 mm? -48.61 -29.84 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.7 t -47.16 -61.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.709 ' O ' HG22 ' A' ' 87' ' ' VAL . 40.3 m170 -37.76 -52.53 1.28 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.772 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -53.12 -46.32 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.003 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -68.79 -33.97 74.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.9 -63.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 83' ' ' HIS . 17.0 m -52.47 -20.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.3 -34.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.15 -35.51 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.93 85.74 50.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.07 6.66 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.305 3.337 . . . . 1.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -5.95 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 93' ' ' LEU . 28.6 mt -109.98 -0.55 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -56.24 -28.4 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 4.26 14.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.666 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.4 m-20 -126.51 -43.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -103.99 50.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 161.99 -27.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.07 129.13 31.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.87 -50.21 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 134.52 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.29 56.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.5 p -124.72 164.32 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -19.13 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -70.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -88.0 112.53 49.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.751 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.283 3.322 . . . . 1.0 109.57 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 122.085 0.945 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.0 168.9 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.323 3.348 . . . . 1.0 109.591 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.74 135.55 33.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.3 p -57.36 122.35 54.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 1.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 75.4 Cg_exo -52.52 137.04 57.82 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.315 3.343 . . . . 1.0 109.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 139.6 86.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -43.0 144.9 1.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.295 3.33 . . . . 1.0 109.616 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.29 142.99 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 4.1 pt-20 -86.33 132.82 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 110.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 11' ' ' VAL . 59.8 t -104.77 64.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -47.06 142.62 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 1.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.67 -110.8 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.31 -48.83 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 1.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -154.33 29.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -149.43 151.71 34.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 9.9 m -125.43 120.22 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 t -115.1 116.28 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -70.0 150.05 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -137.86 117.84 10.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.528 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.2 Cg_endo -83.8 124.41 3.47 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.297 3.331 . . . . 1.0 109.588 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -81.2 -36.98 29.4 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.14 0.9 . . . . 1.0 109.747 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.031 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.47 -67.79 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.031 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.3 Cg_exo -39.73 -43.44 3.2 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.343 3.362 . . . . 1.0 109.598 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -96.1 45.02 1.07 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.151 0.907 . . . . 1.0 109.763 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.9 tm-20 -89.3 -26.39 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -83.33 -43.49 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.448 HG13 HG21 ' A' ' 32' ' ' THR . 79.8 t -48.96 127.53 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE1' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -42.29 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 1.2 t -89.65 -24.86 21.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 1.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG12 ' OE1' ' A' ' 29' ' ' GLU . 9.9 p -90.42 1.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.448 HG21 HG13 ' A' ' 28' ' ' VAL . 42.2 m -77.66 -44.74 27.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -97.71 -58.72 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 108.267 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.89 67.98 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.747 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.65 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 13.6 p80 -56.71 152.39 12.33 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.164 0.915 . . . . 1.0 109.762 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.35 147.9 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.3 t -106.07 98.26 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.84 35.61 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.16 33.02 65.17 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 1.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 120.42 15.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -46.55 136.8 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.11 165.14 33.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 1.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.1 m-85 -160.86 33.88 0.15 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.925 -1.034 . . . . 1.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.44 -177.73 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.21 138.21 58.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.85 -32.39 63.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 1.0 108.34 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.83 57.45 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 1.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 16.2 m -91.1 144.07 26.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 1.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 49.4 m -38.1 119.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.37 -42.38 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 1.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.2 m -84.27 -143.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.688 ' NE2' HG11 ' A' ' 67' ' ' VAL . 18.6 m80 -65.71 57.62 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.777 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -72.1 -40.91 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 5.6 t70 -64.16 117.76 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.18 1.56 15.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -98.88 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 1.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -44.52 155.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -38.1 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -109.54 152.52 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.0 139.66 4.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 1.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.87 -6.49 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 1.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 12.6 26.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.92 138.47 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.04 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 tp -80.17 -28.94 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -72.65 -44.26 62.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.2 t80 -60.58 -15.93 32.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.939 -0.553 . . . . 1.0 109.848 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.688 HG11 ' NE2' ' A' ' 52' ' ' HIS . 16.6 m -107.65 40.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.506 ' O ' HD13 ' A' ' 80' ' ' LEU . 15.2 t -154.09 -50.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 1.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 68' ' ' VAL . 1.3 m80 -105.71 37.47 2.23 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.796 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.86 101.52 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -93.16 -6.72 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.11 -160.56 24.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.162 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.3 pm0 -94.82 138.37 32.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB1' ' A' ' 70' ' ' ALA . 1.4 mt -140.98 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -87.7 -24.14 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 28.3 m170 -128.24 -173.02 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 1.0 109.542 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.33 126.93 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.0 m -87.08 171.34 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 1.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.437 ' C ' ' N ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -70.96 -72.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.1 mp -39.9 -31.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -63.12 -69.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -50.8 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.613 ' O ' HG22 ' A' ' 87' ' ' VAL . 1.3 m-70 -36.1 -51.94 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.014 -0.993 . . . . 1.0 109.773 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.67 -49.8 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 1.0 109.998 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.7 mtpm? -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.8 t -73.43 -66.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 83' ' ' HIS . 29.6 m -50.56 -22.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.7 -35.98 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.77 -36.68 15.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -122.92 85.3 50.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.16 4.68 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.3 3.333 . . . . 1.0 109.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -9.4 49.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.2 mt -107.99 -1.16 20.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 1.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -54.84 -27.79 44.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 7.3 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 97' ' ' LEU . 75.1 m-20 -129.09 -44.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -101.33 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 165.15 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -48.42 130.89 20.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.5 m -79.82 -48.67 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.29 49.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt 65.8 48.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 13.9 p -117.54 166.12 12.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -18.9 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 60.1 m -93.67 -70.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 93.7 m-70 -91.72 110.38 43.09 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.052 -0.976 . . . . 1.0 109.752 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 31.7 Cg_exo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 124.341 3.36 . . . . 1.0 109.549 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 122.094 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.6 Cg_endo -50.52 170.76 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.292 3.328 . . . . 1.0 109.615 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.42 34.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.328 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 p -55.52 127.51 66.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.732 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.6 Cg_exo -54.17 137.28 70.19 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.295 3.33 . . . . 1.0 109.61 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 -59.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 1.0 109.315 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 17.3 mmtt -75.61 140.99 72.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 75.2 Cg_exo -44.97 148.35 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.286 3.324 . . . . 1.0 109.621 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.05 140.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.311 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.9 mm-40 -84.08 143.31 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 11' ' ' VAL . 87.0 t -114.63 63.86 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 10.4 mmtt -40.44 141.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 -134.58 3.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -54.82 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 1.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.45 27.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -135.66 159.88 40.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.8 m -129.41 109.57 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.62 117.78 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mmm -71.0 148.57 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -139.57 114.63 8.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.593 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 59.9 Cg_endo -83.29 132.92 6.18 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.289 3.326 . . . . 1.0 109.586 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.732 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.4 m80 -85.1 -36.1 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.173 0.921 . . . . 1.0 109.735 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.989 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.24 -71.43 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.989 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 74.5 Cg_exo -36.47 -44.57 0.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.286 3.324 . . . . 1.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -95.64 47.22 1.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.12 0.887 . . . . 1.0 109.723 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -90.36 -27.38 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.33 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -36.35 35.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 32' ' ' THR . 81.9 t -69.53 117.33 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.97 165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -82.15 -30.91 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.66 -25.8 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.429 HG21 HG13 ' A' ' 28' ' ' VAL . 10.3 m -63.61 -42.67 98.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 110.441 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.31 -58.48 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 108.345 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.3 m-70 -77.12 71.09 3.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.729 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 12.2 p80 -59.1 143.27 49.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.086 0.866 . . . . 1.0 109.752 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.54 146.65 39.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.1 114.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.73 31.04 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 1.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.74 60.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 1.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -139.35 137.82 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 1.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.76 135.1 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -147.25 160.28 42.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.0 110.005 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 42' ' ' SER . 59.2 m-85 -159.17 33.16 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.818 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.88 178.72 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -62.14 134.58 56.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -51.24 -33.2 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 1.0 108.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -114.31 58.47 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 1.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.8 m -89.23 143.02 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 1.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' SER . 51.1 m -37.53 112.73 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.1 -45.71 1.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -81.9 -142.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.668 ' NE2' HG11 ' A' ' 67' ' ' VAL . 17.5 m80 -66.41 57.33 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.746 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -77.58 -38.63 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.681 ' OD2' ' HB3' ' A' ' 57' ' ' ALA . 14.2 t70 -59.66 124.3 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 1.5 mt -120.21 8.96 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.55 -57.46 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 1.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.681 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -49.61 141.93 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -52.59 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.97 169.5 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 144.7 7.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -75.54 -3.51 34.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 1.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 8.17 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.62 139.24 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 58.6 tp -84.25 -17.45 39.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 21.4 t80 -83.49 -43.03 16.22 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.83 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 34.5 t80 -67.33 -4.46 10.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.952 -0.546 . . . . 1.0 109.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.668 HG11 ' NE2' ' A' ' 52' ' ' HIS . 11.0 m -113.85 35.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 94.4 t -158.11 -47.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.1 m80 -99.63 20.55 13.8 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.814 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -97.44 103.73 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.67 -8.86 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.86 -158.66 3.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.43 136.57 32.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 1.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mt -142.02 -169.81 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -88.12 -35.61 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 38.0 m80 -118.45 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -98.88 130.57 45.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.03 172.96 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.43 -67.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 108.288 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -22.4 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -65.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -50.56 -57.22 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 108.323 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 87' ' ' VAL . 54.7 m170 -39.12 -55.75 1.57 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.757 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -49.06 -50.07 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 1.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 14.5 mttt -63.43 -31.31 72.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 88' ' ' ALA . 75.0 t -72.5 -66.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 83' ' ' HIS . 33.1 m -49.9 -22.83 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.87 -34.56 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.52 -37.43 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.92 85.83 50.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.69 4.96 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.348 3.365 . . . . 1.0 109.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.34 -10.45 44.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.262 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.3 mt -106.9 -1.06 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 1.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -54.53 -30.33 53.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.68 4.99 12.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -127.31 -44.3 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 1.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.598 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -99.54 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 162.53 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -45.14 127.61 7.75 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.556 1.16 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.1 m -76.93 -48.46 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.94 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 63.33 53.28 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 8.5 p -119.48 166.25 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 1.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -16.24 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.14 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 108.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -79.29 114.07 41.82 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.77 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.446 -1.267 0 C-N-CA 124.321 3.347 . . . . 1.0 109.636 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.103 0.954 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.74 171.05 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.314 3.342 . . . . 1.0 109.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.04 136.72 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -59.14 123.3 68.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.7 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.2 Cg_exo -54.3 142.54 68.22 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.309 3.339 . . . . 1.0 109.593 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -67.25 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 127.42 92.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -36.82 141.36 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.322 3.348 . . . . 1.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.73 140.23 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.32 132.58 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.9 t -102.22 74.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -46.9 152.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.84 -136.71 3.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -88.86 -30.81 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.88 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.31 161.73 40.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -132.92 140.63 47.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -134.28 114.57 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 mmm -69.1 151.69 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -140.65 113.5 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 57.2 Cg_endo -83.5 131.72 5.64 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.345 3.363 . . . . 1.0 109.567 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.9 m80 -84.77 -35.74 22.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.102 0.876 . . . . 1.0 109.805 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.53 -71.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 53.6 Cg_exo -38.67 -40.2 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.331 3.354 . . . . 1.0 109.543 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -101.99 45.76 0.95 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.163 0.914 . . . . 1.0 109.81 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.91 -26.36 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.83 -38.72 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.1 116.41 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.17 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.0 110.243 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -88.72 -24.09 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 1.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -21.32 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 m -70.81 -35.21 72.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 1.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.3 m -103.6 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.76 71.0 6.39 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.762 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 p80 -56.96 156.6 6.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.133 0.895 . . . . 1.0 109.775 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.13 146.5 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -109.78 107.7 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 57.65 48.47 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.33 33.55 61.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -135.37 154.56 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 1.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.66 137.18 40.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 1.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.639 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.47 160.34 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 42' ' ' SER . 57.4 m-85 -157.67 42.21 0.31 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.775 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.8 176.14 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.75 165.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 63.7 m -91.47 19.26 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 108.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -162.55 61.09 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.1 m -104.89 147.9 27.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 70.9 m -37.19 128.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.54 -36.54 3.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.8 m -94.67 -146.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' NE2' HG11 ' A' ' 67' ' ' VAL . 11.6 m80 -64.89 62.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.749 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -72.11 -48.72 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 24.1 t0 -56.78 122.41 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -113.18 0.22 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.4 m -101.13 -60.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -43.64 142.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 150.93 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.03 147.34 6.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 1.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -82.16 9.85 7.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 1.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.54 15.19 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -107.96 131.47 54.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 46' ' ' CYS . 38.2 tp -70.92 -11.61 61.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -87.05 -40.86 14.31 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.839 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.72 -6.94 13.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.876 -0.583 . . . . 1.0 109.803 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 m -115.57 46.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.7 t -163.58 -48.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.57 ' HA ' HD22 ' A' ' 80' ' ' LEU . 1.1 m80 -109.82 36.7 2.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.768 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.87 95.06 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -14.98 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.93 -156.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 134.94 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 0.813 . . . . 1.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mt -143.2 -174.71 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -21.82 21.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 30.3 m170 -126.08 -173.11 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -103.04 126.27 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 45.0 m -88.77 167.87 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.3 m -66.71 -65.4 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.5 mp -46.1 -23.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -72.0 -51.36 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.79 29.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 108.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.641 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -128.63 -57.13 1.2 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.754 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 87' ' ' VAL . 78.3 p -67.65 -23.3 65.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 1.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.3 mtpp -91.26 -32.76 15.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.15 -43.7 98.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 83' ' ' HIS . 21.1 m -58.16 -23.22 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.55 -36.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 4.3 mt-10 -92.26 -43.47 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 1.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -112.97 90.2 15.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 89' ' ' GLU . 60.7 Cg_endo -77.74 9.68 2.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.265 3.31 . . . . 1.0 109.617 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -9.21 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 1.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HB3' HD23 ' A' ' 97' ' ' LEU . 85.7 mt -107.54 -1.71 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -47.23 -25.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.48 40.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.579 ' C ' HD22 ' A' ' 97' ' ' LEU . 10.5 m-20 -156.43 -42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.911 ' O ' HG23 ' A' ' 98' ' ' THR . 1.2 mm? -108.52 36.07 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -171.3 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.65 125.9 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 1.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.5 m -71.26 -43.86 66.39 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.27 141.4 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.82 46.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.5 p -120.98 164.57 16.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -57.17 -17.89 13.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 1.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 72.8 m -93.99 -63.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 1.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -101.18 106.45 45.14 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.795 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.5 Cg_exo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.323 3.349 . . . . 1.0 109.57 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.105 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.95 172.82 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.336 3.358 . . . . 1.0 109.585 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.83 121.06 30.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 p -40.08 123.22 1.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 74.2 Cg_exo -53.47 139.29 65.7 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.262 3.308 . . . . 1.0 109.589 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -74.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 138.04 91.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.86 144.81 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.349 . . . . 1.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.56 142.87 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -93.4 131.58 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.37 68.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.57 141.55 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.05 -130.22 3.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 p -70.94 -58.1 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 1.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -151.92 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -135.86 147.05 48.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -126.24 111.39 14.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG11 ' SG ' ' A' ' 105' ' ' CYS . 77.4 t -110.33 120.91 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.93 153.04 38.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -141.88 119.38 7.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.613 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.0 Cg_endo -88.46 129.44 2.25 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 1.0 109.623 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -82.03 -32.99 30.22 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.164 0.915 . . . . 1.0 109.824 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.997 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.33 -72.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 84.1 Cg_exo -33.8 -39.47 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.312 3.341 . . . . 1.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -96.98 51.02 1.11 Allowed 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.113 0.883 . . . . 1.0 109.764 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.1 mt-10 -90.46 -29.0 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -80.78 -37.44 30.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 46.9 t -54.71 127.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -46.15 172.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.4 -0.82 34.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 1.0 108.357 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.61 -3.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -77.69 -39.08 45.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.1 m -96.92 -60.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 108.302 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.52 74.97 5.05 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.708 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 24.7 p80 -62.38 146.82 50.29 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 124.164 0.915 . . . . 1.0 109.763 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 40' ' ' LYS . 45.8 mt -69.91 152.3 44.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.41 126.27 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 1.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.46 35.9 15.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.38 91.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' O ' HD22 ' A' ' 36' ' ' LEU . 4.1 ptmt -129.74 177.67 7.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.97 137.44 40.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.69 164.5 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.991 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 61.7 m-85 -156.88 31.45 0.3 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.71 179.47 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -65.22 138.48 58.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.2 m -52.75 -32.87 45.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -111.8 57.63 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.7 m -94.13 144.03 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 1.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.8 m -37.63 123.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.0 109.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -32.33 7.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -93.03 -145.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.758 ' NE2' HG11 ' A' ' 67' ' ' VAL . 23.8 m80 -64.51 61.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.91 -48.33 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 45.5 t0 -57.13 119.6 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.92 -1.15 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -96.74 -62.83 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -50.1 147.95 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -36.26 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 134.4 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.18 148.13 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 1.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.37 7.84 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -118.13 8.96 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.705 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -98.82 119.67 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.98 -15.65 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 31.5 t80 -84.82 -39.78 17.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.859 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.68 -0.43 5.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 118.904 -0.569 . . . . 1.0 109.803 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.758 HG11 ' NE2' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.81 38.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.755 ' O ' HD13 ' A' ' 80' ' ' LEU . 51.9 t -160.09 -48.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HD22 ' A' ' 80' ' ' LEU . 2.1 m80 -105.28 35.46 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.781 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -114.22 93.79 4.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 1.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.01 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.99 -159.29 0.41 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 1.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 1.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' GLU . 10.9 mt -148.31 -171.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -26.44 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.637 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 27.9 m170 -126.55 -169.4 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -105.05 127.35 52.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.59 171.19 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -69.37 -66.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 68' ' ' VAL . 8.3 mp -47.21 -23.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.37 -51.01 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.9 t -93.63 34.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 108.262 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.506 ' NE2' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -132.91 -45.61 0.86 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.766 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -73.88 -16.68 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.995 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 40.6 mttt -94.03 -35.14 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.96 -40.68 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.556 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.9 m -64.32 -19.57 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.3 -40.86 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.73 -21.69 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 1.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HE3' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -132.43 87.75 41.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.95 9.74 3.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.321 3.347 . . . . 1.0 109.62 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.07 -2.13 35.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.581 HD12 ' HE3' ' A' ' 90' ' ' LYS . 18.6 mt -116.14 1.0 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -89.47 16.81 7.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' HD23 ' A' ' 97' ' ' LEU . 9.1 m-20 -131.44 -44.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -107.06 49.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.7 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -49.18 130.69 24.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 1.0 108.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.98 130.72 55.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 68.09 55.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 28.5 p -123.87 165.68 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -58.36 -18.05 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.449 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -97.77 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 108.312 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -93.03 110.33 45.27 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 50.3 Cg_exo . . . . . 0 N--CA 1.447 -1.258 0 C-N-CA 124.303 3.335 . . . . 1.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 122.056 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.73 171.89 1.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.302 3.335 . . . . 1.0 109.593 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.0 116.43 18.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.318 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 p -47.32 122.15 7.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.733 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.4 Cg_exo -54.08 138.02 70.39 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.273 3.315 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.66 -65.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.51 128.47 93.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -38.89 141.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.296 3.331 . . . . 1.0 109.612 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.99 138.48 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.306 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 147.48 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 11' ' ' VAL . 99.1 t -116.31 59.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -43.61 143.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.11 -129.84 2.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 p -69.67 -57.37 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 1.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 27.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -136.49 150.13 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -125.58 112.88 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.16 118.8 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 mmt -73.92 153.72 39.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -140.93 114.94 7.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 38.2 Cg_endo -86.4 135.67 4.46 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.272 3.315 . . . . 1.0 109.621 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.733 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 3.6 m80 -86.04 -37.13 19.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.138 0.899 . . . . 1.0 109.773 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.66 -68.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 73.4 Cg_exo -39.86 -36.58 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.33 3.353 . . . . 1.0 109.606 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -104.0 42.25 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 O-C-N 124.157 0.911 . . . . 1.0 109.76 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 tp10 -100.59 42.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -46.15 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 32' ' ' THR . 3.1 t -72.11 140.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.42 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 3.6 m -97.82 24.18 7.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.18 -20.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 1.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.689 HG21 HG11 ' A' ' 28' ' ' VAL . 20.9 m -66.89 -41.24 87.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 30' ' ' CYS . 98.4 m-70 -76.19 71.22 2.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.732 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 5.4 p80 -59.66 146.3 41.64 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.112 0.883 . . . . 1.0 109.755 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 149.51 39.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -112.02 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t70 67.43 40.38 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.45 31.66 81.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -135.56 149.03 49.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 1.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.11 140.84 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -155.0 163.03 40.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 1.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 67.1 m-85 -159.06 35.17 0.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.829 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 179.95 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 165.0 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 65.3 m -92.82 22.09 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 59.4 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.2 m -102.03 148.62 25.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 1.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 92.3 p -37.64 124.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.87 -38.93 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.1 m -90.99 -145.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.607 ' NE2' HG11 ' A' ' 67' ' ' VAL . 12.5 m80 -66.03 60.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -81.41 -32.62 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 9.6 t70 -66.14 124.1 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.89 8.61 10.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -52.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -63.44 154.05 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.9 -35.23 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -104.6 149.7 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.86 147.64 7.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.27 1.58 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 1.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -110.37 7.13 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -99.45 133.62 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 1.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.94 -14.56 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -85.7 -41.5 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.975 -1.012 . . . . 1.0 109.846 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -65.66 -5.24 7.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.907 -0.568 . . . . 1.0 109.846 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.607 HG11 ' NE2' ' A' ' 52' ' ' HIS . 10.1 m -120.28 39.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.807 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.5 t -153.71 -50.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -107.71 39.68 1.87 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -108.03 105.2 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -98.28 -8.76 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.08 -157.99 8.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 1.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mt -142.03 -170.23 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -89.64 -26.35 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.458 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 30.3 m80 -124.01 -170.88 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -101.1 123.78 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -83.71 164.8 19.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -68.66 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 108.266 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 68' ' ' VAL . 4.6 mp -49.08 -29.41 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -62.44 -67.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -52.51 -54.05 37.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 87' ' ' VAL . 37.2 m170 -44.06 -56.93 3.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.766 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -48.88 -51.03 32.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 110.023 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -64.67 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.36 -62.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.6 m -53.22 -20.77 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.15 -38.39 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.99 -37.53 18.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 91.78 49.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.81 8.5 3.4 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.313 3.342 . . . . 1.0 109.604 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.1 -5.95 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.8 mt -111.06 -0.86 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.1 ttmt -57.06 -32.22 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -7.39 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.661 ' C ' HD23 ' A' ' 97' ' ' LEU . 11.9 m-20 -115.61 -42.17 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.43 47.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.45 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 1.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -46.46 128.14 10.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -77.89 -47.27 19.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.17 52.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.0 42.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.0 p -113.84 166.37 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -59.14 -23.54 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.459 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -90.02 -59.71 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -102.27 104.3 36.22 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 32.5 Cg_exo . . . . . 0 N--CA 1.447 -1.243 0 C-N-CA 124.323 3.349 . . . . 1.0 109.617 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 122.064 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 11.4 Cg_endo -50.79 169.98 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.295 3.33 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.78 139.09 40.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.77 127.17 93.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.431 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 72.6 Cg_exo -55.3 140.68 81.87 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 1.0 109.586 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -67.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 1.0 109.324 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 136.36 96.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.78 135.08 7.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.329 3.353 . . . . 1.0 109.646 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.87 140.66 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.1 151.1 23.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' VAL . 71.2 t -123.99 62.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 142.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.63 -127.1 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -56.96 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -160.15 25.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -137.83 155.92 48.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -124.13 119.92 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.27 114.59 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -66.36 150.17 49.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -138.25 112.16 8.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 43.8 Cg_endo -84.38 130.06 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.266 3.311 . . . . 1.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 5' ' ' PRO . 3.9 m-70 -83.65 -34.74 24.97 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.123 0.889 . . . . 1.0 109.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.999 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.55 -67.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.999 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 89.3 Cg_exo -39.23 -35.51 0.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.297 3.331 . . . . 1.0 109.589 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -108.95 50.15 0.79 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.134 0.896 . . . . 1.0 109.787 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 10.2 tt0 -91.96 -27.87 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -83.01 -39.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.39 125.23 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -53.43 152.65 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -75.93 -28.15 57.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.41 -21.62 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 1.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 m -69.61 -36.63 76.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -102.36 -56.32 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -78.95 68.11 4.82 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.768 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 6.6 p80 -56.27 143.04 35.36 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.173 0.921 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.18 147.48 35.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.41 108.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.7 t0 53.3 46.1 27.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.06 32.95 84.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 1.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 166.25 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.77 134.54 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.97 163.59 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.969 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.8 m-85 -159.36 35.35 0.2 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.817 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.11 174.28 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 163.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.697 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.7 m -89.25 25.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.2 57.1 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 15.1 m -101.87 144.75 30.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 1.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -36.09 125.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.965 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.08 -38.85 2.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -90.77 -144.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.766 ' NE2' HG11 ' A' ' 67' ' ' VAL . 16.1 m80 -66.33 60.02 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -68.74 -48.01 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 44.9 t0 -60.15 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -118.37 4.69 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.8 m -105.32 -58.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -41.25 147.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -25.18 14.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.52 146.53 47.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.62 144.28 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.574 1.171 . . . . 1.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -76.4 0.99 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 0.799 . . . . 1.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.26 11.57 29.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.7 OUTLIER -101.2 146.89 26.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 1.0 109.973 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 46' ' ' CYS . 64.8 tp -88.52 -23.54 23.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 2.8 t80 -81.32 -40.53 23.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.857 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 67.6 t80 -73.64 10.58 1.04 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.903 -0.57 . . . . 1.0 109.812 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.766 HG11 ' NE2' ' A' ' 52' ' ' HIS . 1.4 m -126.6 31.14 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.511 HG13 ' SG ' ' A' ' 79' ' ' CYS . 20.1 t -153.71 -48.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.535 ' HA ' HD12 ' A' ' 80' ' ' LEU . 24.1 m80 -86.26 -39.1 16.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.771 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -38.83 109.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -3.57 34.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.32 -160.92 13.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 1.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 137.09 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 1.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.79 -168.27 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -85.61 -18.5 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 32.3 m80 -138.29 -173.26 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 1.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m -94.17 135.49 35.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.52 176.83 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.511 ' SG ' HG13 ' A' ' 68' ' ' VAL . 4.1 m -78.81 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 108.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 98' ' ' THR . 4.9 mt -53.94 -18.94 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' CD ' ' A' ' 85' ' ' LYS . . . -73.74 -48.84 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.32 35.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -128.08 -65.54 0.9 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.726 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.535 ' O ' HG22 ' A' ' 87' ' ' VAL . 42.9 t -57.48 -15.86 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 110.032 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 mptt -91.29 -36.77 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.48 -43.2 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 84' ' ' SER . 18.5 m -54.4 -25.22 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -40.6 -33.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.89 -43.67 7.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.78 23.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.99 10.0 2.81 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.282 3.321 . . . . 1.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -9.07 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.19 0.6 19.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -53.7 -19.2 3.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 43.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.02 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -95.86 23.25 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -160.74 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.28 124.01 0.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.984 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.7 m -73.42 -46.45 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.51 135.0 51.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 1.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 66.62 56.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -126.58 164.31 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 1.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -53.29 -21.08 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.32 -72.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 108.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.24 113.75 46.11 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.781 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 C-N-CA 124.32 3.347 . . . . 1.0 109.577 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.68 170.54 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.342 3.362 . . . . 1.0 109.607 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 125.56 34.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 1.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.0 p -47.58 122.77 8.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 67.3 Cg_exo -55.29 137.01 76.03 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.323 3.348 . . . . 1.0 109.594 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.38 32.58 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' PRO . 2.8 tmtt? -149.28 117.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' LYS . 12.5 Cg_exo -33.01 112.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 20' ' ' PHE . 29.1 m -93.28 151.84 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.5 mm-40 -103.31 131.63 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 11' ' ' VAL . 77.8 t -102.37 73.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -52.65 151.8 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.21 -138.8 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -52.06 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -161.54 26.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.01 161.22 36.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.4 m -134.11 128.91 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 1.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.98 118.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -71.52 148.85 46.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 1.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 9' ' ' VAL . 35.1 t80 -138.37 111.16 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 67.1 Cg_endo -81.89 132.66 7.58 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.355 3.37 . . . . 1.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -85.04 -36.05 21.49 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.116 0.885 . . . . 1.0 109.782 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.25 -71.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 62.6 Cg_exo -37.79 -36.52 0.44 Allowed 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.33 3.353 . . . . 1.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -102.41 49.62 0.84 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.11 0.881 . . . . 1.0 109.8 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.7 mt-10 -92.06 -26.19 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -39.6 29.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.03 129.26 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.04 170.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -87.53 -33.36 18.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -23.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 1.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -65.6 -46.44 79.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 m -94.85 -56.03 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -77.86 63.61 2.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 6.3 p80 -52.85 147.89 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.14 0.9 . . . . 1.0 109.734 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.04 147.06 45.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.345 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 38' ' ' ASP . 18.4 t -70.29 -124.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG12 ' A' ' 37' ' ' VAL . 36.1 p30 -98.59 28.98 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.71 52.75 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 1.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 116.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 0.799 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.5 tt0 -48.9 141.39 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.63 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.88 163.39 38.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.1 m-85 -154.79 43.96 0.5 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.825 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.33 -178.5 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 166.4 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.758 ' O ' HD13 ' A' ' 64' ' ' LEU . 60.8 m -92.22 22.63 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.81 58.51 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 1.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 m -103.88 147.15 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 1.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.3 m -36.76 128.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.74 -35.93 4.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -94.35 -145.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.643 ' NE2' HG11 ' A' ' 67' ' ' VAL . 15.5 m80 -65.47 61.42 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.765 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -72.56 -41.2 66.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 41.7 t0 -67.21 125.92 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 5.43 12.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 -56.82 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -40.67 141.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -91.41 -37.71 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.71 148.21 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.51 145.87 6.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.54 0.67 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 1.0 110.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -105.61 7.79 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -101.57 141.01 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 46' ' ' CYS . 66.7 tp -82.55 -26.29 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 33.8 t80 -74.97 -40.5 60.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.856 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 25.2 t80 -66.17 -5.48 10.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.92 -0.562 . . . . 1.0 109.824 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.643 HG11 ' NE2' ' A' ' 52' ' ' HIS . 3.5 m -118.43 40.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' VAL . 53.5 t -159.84 -47.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.0 m80 -104.29 22.89 14.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.755 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.54 100.43 10.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HG3' HD23 ' A' ' 80' ' ' LEU . 11.5 ttp85 -92.63 -15.88 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.69 -158.13 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 1.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.61 135.28 33.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.767 . . . . 1.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -140.56 -171.77 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.03 -8.96 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 26.7 m80 -139.6 177.3 8.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 1.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -90.05 129.37 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 172.61 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.87 -64.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.539 HD23 ' HG3' ' A' ' 71' ' ' ARG . 7.0 tt -54.47 -21.16 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.88 -52.04 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -45.64 -51.6 11.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.762 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.5 t -53.47 -54.98 29.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.014 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 mttt -59.63 -33.59 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.81 -62.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' SER . 35.9 m -52.54 -20.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.1 -36.5 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.28 -37.62 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.24 93.19 47.94 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.88 12.6 2.39 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.314 3.343 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -97.36 -8.71 28.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.4 mt -109.98 -1.01 17.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.38 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -86.25 11.97 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.15 -43.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -103.23 49.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 163.58 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 110.427 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.28 129.41 32.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 1.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 34.4 m -77.54 -50.06 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.02 134.11 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mttp 66.82 54.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 p -123.12 164.02 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -54.98 -22.34 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 16.5 m -93.77 -71.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.81 113.8 40.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.822 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.051 0.929 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ALA . 52.3 Cg_exo -46.71 174.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.309 3.339 . . . . 1.0 109.551 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.01 124.4 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.0 p -46.16 128.11 7.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.73 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 50.6 Cg_exo -57.86 135.41 68.84 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.319 3.346 . . . . 1.0 109.616 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.58 22.84 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' CD ' ' HD2' ' A' ' 8' ' ' PRO . 1.3 tptt -138.67 121.7 10.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 7' ' ' LYS . 23.2 Cg_exo -33.9 111.12 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.315 3.343 . . . . 1.0 109.599 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 20' ' ' PHE . 5.3 m -90.29 140.83 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -93.51 128.64 39.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.25 67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -43.14 140.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.95 -146.2 5.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 1.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.77 39.89 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 1.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -168.73 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 -168.92 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 m -122.69 140.87 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.0 116.25 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.23 148.64 41.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.3 t80 -139.0 117.53 9.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 63.7 Cg_endo -83.52 135.84 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.281 3.32 . . . . 1.0 109.614 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -86.89 -37.81 17.33 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.779 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.76 -71.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.3 Cg_exo -38.43 -32.7 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.386 3.391 . . . . 1.0 109.521 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -103.85 52.8 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.153 0.908 . . . . 1.0 109.802 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.75 39.86 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 110.243 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.88 -46.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.639 ' CG1' HG21 ' A' ' 32' ' ' THR . 17.7 t -76.84 124.79 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.08 156.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.0 m -74.84 -27.01 60.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.38 -27.56 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.639 HG21 ' CG1' ' A' ' 28' ' ' VAL . 22.2 m -60.96 -51.58 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.47 -53.81 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 108.348 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.3 m-70 -84.16 85.48 7.35 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.775 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.8 p80 -67.02 157.75 32.69 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.149 0.906 . . . . 1.0 109.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.99 149.05 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -110.37 103.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 109.331 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 59.25 54.09 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.347 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.58 29.17 47.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 158.64 40.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.62 134.77 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -146.22 163.55 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.991 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.1 m-85 -159.22 33.85 0.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.82 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.43 -178.45 6.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -60.75 145.98 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -66.35 -36.23 82.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 108.266 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -108.47 56.2 0.48 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.6 m -91.94 141.81 28.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 1.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.5 m -37.62 123.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.1 -36.61 4.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.8 m -89.17 -142.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.406 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 40.2 m-70 -65.1 59.26 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.004 -0.998 . . . . 1.0 109.799 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -72.64 -51.09 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.806 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 14.8 t70 -54.17 128.6 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -121.26 8.35 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.806 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -45.79 126.02 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 1.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 165.8 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.21 139.64 5.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 1.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.67 -0.68 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 1.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -113.13 7.75 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -98.6 136.02 39.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.96 -22.73 49.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 48.8 t80 -78.49 -41.97 31.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.835 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.627 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.7 t80 -54.82 -16.46 2.64 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.799 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.928 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.84 55.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 67' ' ' VAL . 13.1 t -163.37 -48.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 68' ' ' VAL . 6.5 m80 -111.73 23.85 13.4 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.008 -0.997 . . . . 1.0 109.753 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -96.54 108.44 21.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.605 ' HB3' HD12 ' A' ' 80' ' ' LEU . 11.1 ptt180 -102.93 -1.04 30.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.6 -158.84 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 137.25 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -140.76 -170.68 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -81.92 -16.31 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 50.4 m-70 -138.96 -169.52 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.584 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.85 127.91 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.469 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 8.4 m -86.97 171.21 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.33 -58.22 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 1.0 108.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 71' ' ' ARG . 1.8 tm? -53.86 -22.05 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.51 -62.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 49.4 t -55.25 -62.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 108.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 87' ' ' VAL . 2.6 m-70 -37.77 -51.67 1.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.767 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.81 -51.57 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 1.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 11.0 mttt -66.24 -30.96 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.0 t -64.91 -63.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 83' ' ' HIS . 30.6 m -53.68 -20.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.85 -35.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -95.1 -41.16 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.32 94.98 33.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.92 11.85 2.64 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.331 3.354 . . . . 1.0 109.606 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.69 -10.55 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASP . 47.7 mt -106.09 -4.9 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -50.65 -28.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 30.29 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -152.07 -45.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 98' ' ' THR . 1.1 mm? -101.92 50.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 164.7 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.91 133.47 36.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 1.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 40.9 m -80.66 -51.56 8.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.98 134.98 50.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 1.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? 66.65 48.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.7 p -118.58 164.65 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.66 -24.01 54.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 1.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.15 -63.54 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 108.345 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.82 109.96 46.85 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 C-N-CA 124.255 3.303 . . . . 1.0 109.629 179.814 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.097 0.951 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.2 Cg_endo -49.61 171.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.323 3.348 . . . . 1.0 109.633 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.73 133.14 35.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.296 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.85 123.38 71.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.701 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 51.3 Cg_exo -57.0 136.23 75.49 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.34 3.36 . . . . 1.0 109.631 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 29.56 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -145.27 116.48 5.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -34.35 103.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.286 3.324 . . . . 1.0 109.627 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 7' ' ' LYS . 15.5 m -89.47 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 1.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.6 pt-20 -92.7 131.16 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 11' ' ' VAL . 94.4 t -97.02 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 1.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 15.7 mmtt -39.89 142.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 1.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 -129.88 2.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 1.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.4 p -69.22 -56.37 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 1.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -160.19 31.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -143.56 146.09 33.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 10' ' ' GLU . 24.2 m -117.11 134.39 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.16 108.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 1.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 19' ' ' MET . 2.8 ptp -64.13 140.61 58.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -131.61 118.43 16.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.4 Cg_endo -87.96 132.01 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.283 3.322 . . . . 1.0 109.626 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.701 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.7 m80 -84.3 -37.47 21.62 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.145 0.903 . . . . 1.0 109.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.03 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.18 -69.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.03 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 57.7 Cg_exo -40.44 -31.42 0.61 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.302 3.334 . . . . 1.0 109.628 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -112.82 50.1 0.9 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.137 0.898 . . . . 1.0 109.761 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -111.96 38.48 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 1.0 110.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -45.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.633 HG11 HG21 ' A' ' 32' ' ' THR . 18.5 t -70.91 124.28 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -38.27 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -72.65 -26.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 1.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.93 -22.54 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.633 HG21 HG11 ' A' ' 28' ' ' VAL . 63.1 m -64.35 -48.56 75.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.8 m -93.98 -55.33 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -78.61 74.89 5.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.751 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 4.0 p80 -61.46 156.14 20.08 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.21 0.944 . . . . 1.0 109.735 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.1 145.49 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.55 126.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 55.02 27.69 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.97 43.32 82.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.21 148.49 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.91 138.79 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 1.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.89 163.17 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 1.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.8 m-85 -154.88 31.87 0.4 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.871 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.45 -179.58 7.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 162.08 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.48 ' O ' HD13 ' A' ' 64' ' ' LEU . 62.3 m -91.93 23.99 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.46 59.25 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 1.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.7 OUTLIER -104.08 149.58 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 1.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 50.5 m -36.69 126.28 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 1.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . 99.06 -36.15 4.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -94.1 -148.26 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.319 -0.993 . . . . 1.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 61' ' ' GLU . 10.6 m80 -66.42 58.5 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.755 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -87.4 -8.3 56.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.03 111.05 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.63 16.65 20.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -55.96 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.15 161.93 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -41.2 4.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -109.65 150.41 28.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.74 153.7 8.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.45 ' O ' ' CD2' ' A' ' 52' ' ' HIS . 0.5 OUTLIER -78.2 3.22 15.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 1.0 110.323 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.49 -5.55 26.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -92.34 142.86 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -84.88 -28.93 25.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -71.85 -42.87 66.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.819 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 42.3 t80 -65.24 -7.48 13.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.894 -0.574 . . . . 1.0 109.815 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.2 m -115.85 47.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.5 t -160.48 -50.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 3.1 m80 -98.94 4.87 47.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.795 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -73.43 95.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.17 -14.54 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.81 -156.93 1.09 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 1.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -90.44 134.54 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' A' ' 78' ' ' SER . 1.7 mt -139.68 -167.68 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -92.76 -34.52 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.575 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 30.3 m170 -115.92 -172.53 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 m -98.32 125.05 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 50.8 m -89.35 169.4 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.44 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -66.62 -66.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 1.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.0 mt -46.11 -23.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.83 -50.91 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.22 30.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -129.31 -50.06 1.19 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.742 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -72.99 -24.75 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 32.1 mttt -88.96 -35.09 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.11 -46.81 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 83' ' ' HIS . 24.7 m -58.96 -21.76 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.9 -36.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 -38.15 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -124.57 85.15 56.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.84 8.86 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.299 3.333 . . . . 1.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -5.02 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 1.0 110.334 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 97' ' ' LEU . 79.4 mt -113.26 -3.45 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HA ' HG11 ' A' ' 87' ' ' VAL . 3.6 tttm -47.53 -54.05 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 1.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -25.16 11.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.775 ' C ' HD22 ' A' ' 97' ' ' LEU . 2.0 m-20 -95.07 -37.21 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -114.41 55.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 1.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.01 -27.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.395 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.08 127.7 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.8 m -75.92 -47.63 24.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.39 135.83 49.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt 68.42 53.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 1.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 p -125.67 163.55 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -59.91 -16.82 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 74.0 m -92.14 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.21 111.32 49.71 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.773 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.312 3.341 . . . . 1.0 109.589 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.093 0.949 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.2 171.81 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.297 3.331 . . . . 1.0 109.596 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.87 118.02 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -40.16 121.33 1.6 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 75.6 Cg_exo -53.52 139.38 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.298 3.332 . . . . 1.0 109.637 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.64 -77.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.26 133.18 61.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.22 141.74 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.288 3.325 . . . . 1.0 109.625 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 20' ' ' PHE . 15.0 m -111.64 141.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 4.4 mm-40 -91.93 129.84 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 11' ' ' VAL . 92.7 t -102.67 68.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -47.82 147.23 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.51 -134.5 3.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.9 p -72.76 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 1.0 109.966 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -148.72 32.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -154.74 155.85 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.1 m -125.88 132.21 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.52 115.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 9' ' ' VAL . 29.1 t80 -142.21 110.9 5.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 45.2 Cg_endo -83.19 128.49 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.343 3.362 . . . . 1.0 109.629 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -82.36 -40.16 21.75 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.195 0.934 . . . . 1.0 109.806 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.48 -69.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 79.0 Cg_exo -34.15 -42.09 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.364 3.376 . . . . 1.0 109.538 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -95.44 50.58 1.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 124.117 0.886 . . . . 1.0 109.766 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.7 pt-20 -107.24 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -143.01 -47.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 9.1 t -60.29 143.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CG ' ' OG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -45.0 171.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -100.6 22.38 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 1.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.43 -40.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.462 ' OG1' ' CG ' ' A' ' 29' ' ' GLU . 2.4 m -42.03 -48.67 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -86.77 -56.6 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 108.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -86.52 76.49 9.58 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.727 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 5.8 p80 -64.92 155.09 35.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.126 0.891 . . . . 1.0 109.769 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.1 mt -76.67 150.99 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 40' ' ' LYS . 3.0 t -111.43 97.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 1.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.55 49.89 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.85 35.34 82.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HE3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -135.4 127.55 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.12 140.5 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -151.61 162.91 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.7 m-85 -157.29 42.89 0.33 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.81 175.02 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.18 158.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.579 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.3 m -88.26 27.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 1.0 108.266 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.51 56.83 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 1.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.4 m -101.69 148.07 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 1.0 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -36.23 127.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 109.981 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.99 -36.51 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -90.66 -148.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 17.4 m-70 -66.18 59.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.735 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -70.76 -43.19 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 1.0 109.278 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.815 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 17.6 t70 -61.13 130.26 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 54' ' ' ASP . 2.6 mt -125.93 11.83 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -116.77 -58.17 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -42.7 149.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 66' ' ' TYR . 2.9 mttt -86.53 -72.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.25 152.04 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.27 140.39 4.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 1.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.23 -0.98 21.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 1.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -105.15 4.53 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.557 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -97.06 145.15 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 110.0 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 46' ' ' CYS . 56.3 tp -87.17 -31.29 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 45.3 t80 -68.42 -42.04 79.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.615 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 26.4 t80 -64.84 -4.01 3.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.881 -0.58 . . . . 1.0 109.784 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.1 m -109.06 19.42 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -139.87 -49.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 1.4 m80 -101.96 39.52 1.46 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -114.91 97.07 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -92.28 -8.68 44.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.7 -158.17 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.151 . . . . 1.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 136.53 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 mt -140.07 -170.11 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -89.92 -17.5 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 29.7 m80 -139.54 -172.5 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.661 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -94.26 136.82 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.45 173.0 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' C ' ' N ' ' A' ' 81' ' ' ALA . 3.5 m -75.96 -70.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.68 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -68.92 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 86' ' ' VAL . 39.3 t -53.37 -48.1 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -48.5 -50.94 29.7 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.739 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -45.32 71.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 1.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 12.8 mttp -68.81 -31.84 71.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 82' ' ' CYS . 34.8 t -64.8 -61.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.6 m -53.39 -21.14 3.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.5 -35.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.21 -36.53 12.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -121.41 93.26 48.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.04 11.48 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.346 . . . . 1.0 109.601 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -98.4 -6.13 31.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 1.0 110.353 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.8 mt -112.87 0.65 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -54.39 -29.88 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 11.64 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.3 m-20 -128.45 -44.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -104.06 49.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 162.74 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.432 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.3 129.67 28.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -78.84 -50.24 11.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.55 130.5 54.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 67.36 57.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.6 p -126.01 164.23 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 1.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.71 43.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.15 -70.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 108.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -87.62 112.7 50.3 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 122.094 0.95 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ALA . 51.2 Cg_exo -48.0 176.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.275 3.317 . . . . 1.0 109.611 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' VAL . . . -83.97 118.94 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.362 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' ALA . 5.4 p -38.69 127.99 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.603 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.1 Cg_exo -56.82 135.12 68.83 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.346 3.364 . . . . 1.0 109.605 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -65.38 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 125.26 87.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -35.49 137.02 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.363 3.376 . . . . 1.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -112.83 138.32 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 147.24 26.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.7 t -113.6 60.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -46.11 139.58 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.27 -126.41 2.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 p -71.25 -57.96 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 1.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.88 30.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -139.71 145.8 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 1.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -119.26 124.91 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 1.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.62 121.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.42 153.92 40.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 46.6 t80 -143.78 95.19 5.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 1.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.48 122.5 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.31 3.34 . . . . 1.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 5.2 m80 -75.3 -23.21 57.32 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.135 0.897 . . . . 1.0 109.755 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.085 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.79 -67.69 0.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.085 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -43.4 -52.64 4.89 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.305 3.337 . . . . 1.0 109.621 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -85.8 54.03 2.98 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.209 0.943 . . . . 1.0 109.74 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.0 mt-10 -95.36 -27.43 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -84.99 -43.63 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.63 123.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.92 151.43 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -73.63 -29.92 62.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 108.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -25.13 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.0 m -63.29 -41.58 98.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.4 m -97.53 -56.37 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.254 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -79.96 61.75 3.95 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.752 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 5.8 p80 -42.73 164.98 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.101 0.876 . . . . 1.0 109.75 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.729 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.5 pp -113.13 133.33 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' GLY . 2.5 t -109.95 149.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 42.08 28.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 1.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 56.35 40.4 85.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.145 . . . . 1.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.0 mttm -128.63 84.62 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LYS . 27.5 tt0 -36.59 134.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.66 170.3 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' SER . 46.0 m-85 -153.95 48.91 0.64 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.812 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.82 177.82 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 161.57 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 55.8 m -93.5 25.12 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.22 57.77 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.2 m -103.44 145.86 29.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 0.777 . . . . 1.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.4 m -36.63 126.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 1.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.2 3.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -90.37 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.016 . . . . 1.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 20.0 m80 -65.71 60.61 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -81.73 -10.86 59.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' SER . 8.9 t0 -92.6 111.69 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -102.79 -37.02 8.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.5 m -63.88 -60.88 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.48 158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -65.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 1.3 mmtp -94.42 164.81 12.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.96 147.75 8.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 1.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.52 -5.33 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 1.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 8.43 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -97.02 137.63 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 1.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 46' ' ' CYS . 43.9 tp -82.29 -27.25 32.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.806 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 17.4 t80 -78.15 -42.98 30.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 36.1 t80 -59.72 -13.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.878 -0.582 . . . . 1.0 109.814 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 68' ' ' VAL . 30.9 m -115.84 48.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 67' ' ' VAL . 41.1 t -160.4 -50.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.806 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 50.6 m80 -91.57 -44.93 8.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.774 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -35.49 111.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.08 0.07 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.02 -158.66 13.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.47 -168.72 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -84.82 -24.79 28.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.427 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 25.8 m80 -130.42 -172.6 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.605 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.93 122.84 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -84.42 171.96 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' LEU . 1.5 m -69.0 -73.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' CYS . 2.7 mp -40.42 -33.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.9 t -53.66 -61.36 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.754 ' O ' HG22 ' A' ' 87' ' ' VAL . 36.4 m170 -36.45 -49.49 0.73 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.751 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 t -55.87 -49.26 73.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 13.4 mttp -65.81 -32.83 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 88' ' ' ALA . 2.7 t -66.63 -66.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.3 m -50.41 -22.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.44 -36.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.66 -40.92 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.9 91.57 39.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.41 7.29 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.26 3.306 . . . . 1.0 109.642 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.85 -3.69 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 1.0 110.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 93' ' ' LEU . 11.3 mt -114.62 0.04 13.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.785 ' HA ' HG11 ' A' ' 87' ' ' VAL . 4.4 ttpt -58.05 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.04 -19.79 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.726 ' C ' HD23 ' A' ' 97' ' ' LEU . 7.9 m-20 -101.29 -42.27 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -105.79 53.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.92 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 110.444 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -53.33 128.23 38.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 47.5 m -76.95 -49.37 15.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.75 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 51.49 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 62.3 p -122.7 164.12 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 1.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.09 21.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.66 -72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -83.55 113.55 47.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 N--CA 1.448 -1.196 0 C-N-CA 124.276 3.317 . . . . 1.0 109.565 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 122.102 0.953 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.3 Cg_endo -48.66 173.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.374 3.383 . . . . 1.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.85 136.9 33.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 1.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.5 p -60.81 122.79 71.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 53.8 Cg_exo -56.02 138.11 81.38 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.338 3.359 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.42 -67.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 22.6 pttt -56.63 125.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -36.33 123.62 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.36 3.374 . . . . 1.0 109.559 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.7 144.17 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.312 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.9 pt-20 -95.62 140.83 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 11' ' ' VAL . 81.1 t -107.27 64.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.24 144.64 3.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 -124.66 2.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 1.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -78.86 -50.9 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 1.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.26 27.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -137.41 154.52 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 20.5 m -128.49 128.06 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -129.18 122.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.62 150.91 41.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 46.1 t80 -141.9 93.23 7.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 8.2 Cg_exo -72.12 120.0 6.53 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 1.0 109.62 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -70.8 -25.46 62.87 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.178 0.924 . . . . 1.0 109.789 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.038 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -46.43 -67.05 0.42 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.038 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 52.6 Cg_exo -44.32 -41.21 13.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 1.0 109.585 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -99.78 54.18 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.132 0.895 . . . . 1.0 109.706 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.56 39.89 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -46.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.542 HG11 HG21 ' A' ' 32' ' ' THR . 17.5 t -69.73 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.62 156.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.4 m -75.81 -28.63 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.09 -24.18 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.542 HG21 HG11 ' A' ' 28' ' ' VAL . 26.4 m -62.55 -50.98 69.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 1.0 110.399 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -91.33 -54.6 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.0 108.276 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.7 m-70 -80.27 78.93 6.91 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.769 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 3.1 p-80 -63.05 155.34 28.0 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.134 0.896 . . . . 1.0 109.77 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.4 mt -74.3 146.32 43.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -106.2 104.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.34 43.7 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 1.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 36.72 93.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -142.78 124.45 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -52.1 139.75 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -150.16 160.72 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 1.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 48.9 m-85 -156.44 45.94 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.83 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.64 174.62 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.63 159.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 64' ' ' LEU . 57.0 m -94.86 24.23 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 1.0 108.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.17 57.91 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.572 1.17 . . . . 1.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.69 152.99 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 1.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -42.79 124.74 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.14 -36.52 4.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 1.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -92.01 -146.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 33.4 m-70 -65.77 60.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -69.24 -38.15 78.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.314 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 31.2 t0 -72.97 124.96 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.35 4.96 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -103.3 -54.17 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 1.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -45.4 151.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -32.01 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.63 146.17 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 1.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.7 144.32 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 1.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.31 -1.95 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 1.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.75 7.08 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -99.36 147.6 25.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.157 . . . . 1.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 46' ' ' CYS . 53.2 tp -91.51 -24.82 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 49.7 t80 -76.21 -39.85 53.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.796 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 31.4 t80 -67.58 -1.86 5.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.956 -0.545 . . . . 1.0 109.832 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.5 m -114.37 17.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.21 -49.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 1.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 1.8 m80 -102.4 38.48 1.68 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.756 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -109.29 99.56 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -8.15 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 1.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.21 -159.28 10.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 1.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.02 136.46 33.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 1.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 70' ' ' ALA . 2.7 mt -141.05 -169.13 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -22.86 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.9 m80 -134.85 -174.15 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.3 m -96.22 128.97 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 69.9 m -91.63 169.05 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -67.86 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 1.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -49.05 -22.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -74.56 -49.39 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 35.9 t -92.49 30.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -130.34 -51.88 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.047 -0.979 . . . . 1.0 109.769 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 87' ' ' VAL . 52.9 p -69.39 -27.28 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 mttt -89.37 -30.67 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -61.05 -40.95 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 1.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.4 m -63.97 -20.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.66 -38.02 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.34 -26.92 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.93 84.1 54.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.5 8.84 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.309 3.34 . . . . 1.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -5.43 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 1.0 110.334 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.79 1.29 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -56.37 -18.16 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -109.42 37.62 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -155.84 -44.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -99.41 24.04 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -162.23 -43.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -36.61 127.59 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 1.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.41 -43.55 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.22 135.29 54.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.11 51.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 10.1 p -121.28 165.15 15.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 1.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -20.69 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.427 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m -96.12 -71.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 1.0 108.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.5 111.36 41.09 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.777 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 47.0 Cg_exo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.282 3.321 . . . . 1.0 109.614 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.055 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.26 169.47 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 124.243 3.295 . . . . 1.0 109.64 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.91 131.7 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -63.18 122.35 74.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.6 Cg_exo -53.97 138.72 70.22 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.322 3.348 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 -60.45 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 138.72 80.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.55 139.02 7.42 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.305 3.337 . . . . 1.0 109.59 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -108.73 139.06 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 1.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -82.14 126.9 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 11' ' ' VAL . 97.9 t -96.88 57.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -43.88 140.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.73 -129.7 2.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 1.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 p -71.54 -58.9 3.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 1.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.33 35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -147.22 149.1 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -123.34 127.45 48.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.79 106.59 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptt? -63.54 138.63 58.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.74 122.08 16.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.598 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -87.61 140.1 5.1 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.347 3.365 . . . . 1.0 109.586 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -89.39 -39.52 13.35 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.141 0.901 . . . . 1.0 109.739 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.59 -71.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 77.3 Cg_exo -37.49 -34.01 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.346 3.364 . . . . 1.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -104.05 49.73 0.81 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.141 0.901 . . . . 1.0 109.751 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 5.1 tt0 -111.04 42.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.238 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 32' ' ' THR . 3.8 t -60.62 134.78 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' VAL . 5.8 mt-10 -39.24 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.73 10.46 20.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.84 -5.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.3 m -73.66 -44.42 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -93.88 -59.27 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 108.342 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -78.95 81.17 5.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.786 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 11.6 p80 -71.48 149.8 45.48 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.154 0.909 . . . . 1.0 109.766 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.85 152.52 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -108.4 101.27 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t0 58.18 43.25 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.91 88.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 1.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -138.06 118.74 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 1.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -44.92 134.34 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -153.79 160.73 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 110.037 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 42' ' ' SER . 34.7 m-85 -155.07 30.26 0.4 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.845 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.93 -177.32 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.32 56.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.49 -32.83 72.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 108.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.47 57.62 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 1.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.5 m -93.89 139.86 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 1.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . 8.2 t -37.97 119.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.44 -32.05 7.32 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -97.47 -142.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.431 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 23.9 m80 -64.4 62.05 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.79 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -68.56 -50.27 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 122.9 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -116.01 7.49 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -107.97 -60.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.02 146.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -28.9 12.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 140.68 47.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.4 141.78 5.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -1.41 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 1.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.65 7.78 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -99.61 141.36 32.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 1.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.444 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 68.2 tp -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 36.8 t80 -78.59 -41.7 31.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.653 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 22.3 t80 -66.03 -7.59 18.21 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.951 -0.547 . . . . 1.0 109.829 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.502 ' C ' HG23 ' A' ' 68' ' ' VAL . 10.7 m -111.87 35.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG23 ' C ' ' A' ' 67' ' ' VAL . 91.9 t -156.87 -47.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.504 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.8 m80 -101.08 26.96 6.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -97.94 108.77 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -92.28 -32.66 14.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -56.57 -160.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.44 1.087 . . . . 1.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 tt0 -100.99 142.14 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 1.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB1' ' A' ' 70' ' ' ALA . 2.0 mt -143.41 -171.81 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -26.01 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -131.93 -167.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 109.612 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.56 124.29 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 1.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -74.5 176.3 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 110.014 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 78' ' ' SER . 3.3 m -76.65 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 80' ' ' LEU . 9.8 tt -56.93 -22.39 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.55 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.95 -57.4 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.0 108.265 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 3.4 m-70 -39.62 -51.21 2.27 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.788 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -52.89 43.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mtpt -64.04 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.74 -59.01 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.57 -19.11 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.6 -40.58 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.28 -43.51 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 89' ' ' GLU . 2.1 mmmt -117.17 95.26 46.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.65 15.56 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.325 3.35 . . . . 1.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.69 -7.55 25.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.552 ' HB3' HD23 ' A' ' 97' ' ' LEU . 61.2 mt -109.02 -1.06 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -54.26 -27.57 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.7 15.3 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' LEU . 79.6 m-20 -134.65 -44.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 98' ' ' THR . 3.6 mm? -96.21 30.59 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.4 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.39 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.36 130.75 0.92 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.442 1.089 . . . . 1.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.4 m -81.34 -45.54 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.67 131.53 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.1 mttt 67.1 51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 12.9 p -119.65 163.24 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 1.0 110.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -55.27 -22.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.44 -74.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.92 112.19 43.4 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.447 -1.24 0 C-N-CA 124.301 3.334 . . . . 1.0 109.631 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -51.14 172.27 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.351 3.368 . . . . 1.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.11 117.9 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.0 109.311 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.2 p -40.1 127.38 1.66 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 50.2 Cg_exo -58.12 145.18 93.45 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.331 . . . . 1.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -69.71 135.12 88.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.28 149.19 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 1.0 109.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.05 143.88 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.556 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.0 pt-20 -88.45 137.94 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.6 t -104.49 59.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 143.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.4 -123.46 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 p -74.71 -55.58 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 1.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.84 24.31 0.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -132.68 157.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 10' ' ' GLU . 3.9 m -135.08 108.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 1.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 118.61 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmt -70.43 149.85 46.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -140.87 118.41 7.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.8 Cg_endo -86.25 128.68 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.284 3.323 . . . . 1.0 109.583 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.62 -33.9 25.21 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.14 0.9 . . . . 1.0 109.751 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.78 -71.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 60.5 Cg_exo -38.19 -31.66 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -104.07 51.07 0.78 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.159 0.912 . . . . 1.0 109.748 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -110.87 40.22 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.35 -46.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.3 t -60.29 143.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' VAL . 6.4 mt-10 -46.1 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 t -102.01 10.04 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 108.319 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -3.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.0 m -72.59 -45.78 57.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 1.0 110.386 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.0 m -94.53 -58.44 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.7 73.52 3.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.784 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 7.2 p80 -58.57 154.4 14.33 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.221 0.951 . . . . 1.0 109.75 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.01 151.0 31.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.7 t -114.6 97.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 58.7 51.61 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.48 42.29 75.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 1.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.28 111.19 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 1.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.9 tt0 -53.25 140.36 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.06 164.3 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 42' ' ' SER . 50.0 m-85 -155.5 30.96 0.38 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.798 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.15 177.11 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -59.29 141.51 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m -61.36 -32.02 71.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 1.0 108.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -113.67 57.86 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 1.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.9 m -94.38 143.69 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' SER . 53.4 p -38.39 125.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.28 -38.95 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 1.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.3 m -89.84 -142.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.42 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 21.7 m80 -65.38 59.16 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.781 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.35 -49.38 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 38.9 t0 -61.64 120.77 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -116.24 3.27 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ALA . 92.3 m -102.65 -58.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -39.22 157.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -94.26 -58.83 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -102.43 156.66 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.28 139.88 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -4.8 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 1.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -109.34 9.9 25.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.43 138.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.953 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 49.4 tp -80.54 -35.59 34.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.69 -43.53 93.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.816 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.557 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 18.7 t80 -61.82 -15.96 46.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 64' ' ' LEU . 16.2 m -112.81 43.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 69' ' ' HIS . 39.6 t -152.03 -49.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.628 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -110.17 40.97 1.83 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.779 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.713 ' HB3' ' OG ' ' A' ' 78' ' ' SER . . . -108.2 114.87 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -106.73 1.79 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.5 -162.2 34.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 13.2 pt-20 -97.56 137.01 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -140.94 -167.45 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -79.26 -23.61 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -137.1 -177.91 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.621 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -80.96 129.51 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.713 ' OG ' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -69.36 179.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.977 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 68' ' ' VAL . 40.8 t -83.12 -62.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.661 HD11 ' HA ' ' A' ' 98' ' ' THR . 5.3 tp -66.44 -8.91 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.06 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.03 34.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 1.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.816 ' NE2' HD13 ' A' ' 97' ' ' LEU . 1.9 m80 -141.13 -43.79 0.38 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.5 t -73.54 -19.25 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 1.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.7 mttp -99.62 -38.31 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.67 -38.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 94' ' ' LYS . 17.2 m -65.89 -23.69 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.48 -32.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 1.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -122.88 85.8 50.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.08 5.51 2.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.302 3.335 . . . . 1.0 109.591 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 -4.24 38.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 93' ' ' LEU . 21.6 mt -112.45 -1.04 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HA ' HG11 ' A' ' 87' ' ' VAL . 11.8 tttm -54.93 -30.56 58.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.98 36.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -155.86 -43.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.816 HD13 ' NE2' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -102.69 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.661 ' HA ' HD11 ' A' ' 80' ' ' LEU . 0.9 OUTLIER 165.09 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -47.26 131.0 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.556 1.16 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.3 -51.26 11.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 132.39 53.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 mttm 65.49 58.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 30.3 p -126.34 165.2 19.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -58.19 -16.98 15.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 56.6 m -96.4 -73.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.94 113.71 47.47 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.704 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.269 3.313 . . . . 1.0 109.593 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.99 178.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.91 117.63 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -39.85 127.74 1.55 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.7 Cg_exo -56.39 138.08 82.61 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.322 3.348 . . . . 1.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.03 16.83 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 122.37 15.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -37.68 117.63 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.76 141.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -92.49 130.64 38.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.81 67.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -51.6 139.03 21.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.35 -130.66 3.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 1.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -69.5 -55.46 10.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 1.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -160.11 26.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -136.46 152.01 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -124.54 133.59 53.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.5 108.47 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -66.82 139.73 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -128.83 120.19 20.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.633 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -88.74 134.08 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.592 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -84.65 -38.41 19.87 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.124 0.89 . . . . 1.0 109.759 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.021 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.79 -68.86 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 1.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.021 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.0 Cg_exo -41.47 -33.13 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.316 3.344 . . . . 1.0 109.597 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -107.56 50.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.067 0.854 . . . . 1.0 109.8 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 3.7 tm-20 -112.45 42.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.329 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -143.01 -45.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 1.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.612 ' CG1' HG21 ' A' ' 32' ' ' THR . 45.3 t -58.59 136.8 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 3.4 mt-10 -38.6 158.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.9 11.36 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 1.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.13 -2.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 ' CG1' ' A' ' 28' ' ' VAL . 1.3 m -76.83 -45.16 29.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.85 -60.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 1.0 108.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.12 74.29 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.724 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.657 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 2.5 p80 -61.68 148.15 43.61 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.156 0.91 . . . . 1.0 109.808 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.23 150.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -111.68 95.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.65 51.02 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.37 94.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.87 119.14 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 1.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -50.31 138.14 17.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.35 161.5 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.5 m-85 -157.88 37.85 0.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.828 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.54 173.18 9.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.63 153.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.548 ' O ' HD13 ' A' ' 64' ' ' LEU . 23.3 m -83.84 32.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -170.51 55.74 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -102.6 145.47 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 1.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -38.68 121.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -40.08 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.1 m -87.78 -143.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 28.2 m-70 -66.07 58.41 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.807 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -68.8 -44.6 73.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.9 t0 -65.27 121.63 15.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.65 0.84 14.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.102 . . . . 1.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.1 m -97.82 -58.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.49 152.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.34 -41.47 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 147.22 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.22 141.07 4.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 1.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -72.09 -5.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 1.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -106.78 8.04 30.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.421 ' O ' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -100.12 141.97 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 1.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 46' ' ' CYS . 54.2 tp -82.39 -28.73 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.09 -40.79 74.76 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -59.88 -12.35 7.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.921 -0.561 . . . . 1.0 109.821 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -119.88 54.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 1.01 ' O ' HD23 ' A' ' 80' ' ' LEU . 5.2 t -165.36 -47.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.666 ' CE1' HG12 ' A' ' 68' ' ' VAL . 8.6 m80 -112.89 29.38 8.02 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.755 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -102.8 113.39 26.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -107.0 4.43 27.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 1.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.57 -158.03 31.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 136.22 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 1.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -139.99 -168.38 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -83.68 -20.92 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.657 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 29.3 m170 -130.54 -171.9 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 126.19 48.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 1.5 m -89.5 170.41 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.27 -67.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mm? -46.0 -31.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -65.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 45.4 t -53.85 -65.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 87' ' ' VAL . 63.6 m170 -34.32 -53.77 0.51 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.785 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -50.44 62.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.692 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 91.2 mttt -66.02 -31.21 71.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.58 -63.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 83' ' ' HIS . 19.3 m -52.98 -20.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -46.06 -30.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.26 -34.47 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.52 85.91 48.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 4.54 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.341 3.361 . . . . 1.0 109.609 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -10.94 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.48 -3.21 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.1 OUTLIER -55.24 -18.71 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 28.67 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.07 -44.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.843 ' O ' HG23 ' A' ' 98' ' ' THR . 0.2 OUTLIER -92.82 18.56 8.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -165.36 -41.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -29.3 128.33 0.1 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 1.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -77.91 -45.09 25.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.38 139.6 49.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.83 45.99 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -114.55 166.01 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.21 -18.79 17.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.2 m -96.07 -67.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 108.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -94.2 108.96 39.51 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.757 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 42.6 Cg_exo . . . . . 0 N--CA 1.447 -1.247 0 C-N-CA 124.326 3.351 . . . . 1.0 109.583 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 122.041 0.924 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.35 171.94 14.16 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.272 3.315 . . . . 1.0 109.582 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.62 126.6 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.12 121.96 59.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.678 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.4 Cg_exo -58.98 136.98 77.11 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.365 3.377 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.14 -61.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.16 119.89 68.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -35.97 136.65 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.582 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.35 139.67 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 129.84 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 1.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.28 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -42.35 131.43 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.14 -140.73 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 1.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -56.61 -29.9 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 1.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -172.06 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 164.73 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -134.95 118.55 16.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.2 112.29 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' MET . 8.7 ptm -69.55 143.54 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 1.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -130.49 117.29 17.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.1 Cg_endo -88.34 133.53 2.8 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.303 3.335 . . . . 1.0 109.598 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.678 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.8 m80 -86.29 -38.47 17.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.107 0.879 . . . . 1.0 109.782 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.62 -70.8 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.4 Cg_exo -37.68 -31.28 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.328 3.352 . . . . 1.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 71.6 m80 -105.32 50.72 0.77 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.165 0.916 . . . . 1.0 109.726 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.6 tt0 -107.95 43.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.54 -46.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.656 ' CG1' HG21 ' A' ' 32' ' ' THR . 39.9 t -72.21 123.28 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -39.38 155.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.3 m -74.76 -29.42 61.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.3 -31.82 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.656 HG21 ' CG1' ' A' ' 28' ' ' VAL . 39.4 m -54.05 -50.1 67.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.12 -51.02 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.8 m-70 -87.55 71.99 9.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.813 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 2.4 p80 -52.81 172.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.107 0.879 . . . . 1.0 109.801 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.474 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.1 pp -118.55 136.46 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.8 t -113.62 136.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 45.86 39.3 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 53.47 30.61 41.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -120.4 84.36 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -37.76 136.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -138.31 165.36 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 109.966 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 31.3 m-85 -154.89 32.76 0.4 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.04 173.84 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.14 159.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.675 ' O ' HD13 ' A' ' 64' ' ' LEU . 69.4 m -93.28 21.8 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.331 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.03 59.35 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -99.7 163.75 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 1.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.8 p -49.54 122.92 6.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -35.31 4.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.6 m -90.77 -149.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.488 ' NE2' HG11 ' A' ' 67' ' ' VAL . 9.8 m80 -65.62 60.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.761 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -75.2 -51.01 14.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' A' ' 57' ' ' ALA . 5.3 t70 -46.7 128.1 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 11.2 mt -119.5 10.44 11.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -59.26 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.497 ' HB3' ' CG ' ' A' ' 54' ' ' ASP . . . -44.93 137.32 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -34.53 14.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -111.44 143.02 42.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.41 146.95 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.86 3.43 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 1.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' HA ' ' A' ' 52' ' ' HIS . 9.0 mtpt -106.76 7.42 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.03 141.86 34.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 46' ' ' CYS . 62.8 tp -82.64 -12.56 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -85.8 -43.13 13.58 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.837 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.714 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.6 t80 -60.76 -12.63 11.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -112.1 46.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 67' ' ' VAL . 16.9 t -160.77 -48.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.443 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.8 m80 -107.89 29.38 7.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.77 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -98.5 97.97 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -94.88 -9.02 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.4 -157.34 8.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 1.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.29 138.75 31.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 70' ' ' ALA . 5.4 mt -143.09 -171.63 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -18.01 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.3 m80 -135.53 -175.93 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 1.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m -93.51 131.93 38.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 170.45 9.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -74.15 -71.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 108.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 1.4 tp -47.2 -23.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -70.06 -67.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.4 t -49.14 -57.81 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 108.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' HG13 ' A' ' 87' ' ' VAL . 61.7 m170 -39.91 -38.88 0.75 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -63.46 -58.44 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.743 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 88' ' ' ALA . 36.2 t -64.89 -65.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.806 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.8 m -47.34 -24.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.96 -33.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -92.58 -36.09 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' VAL . 1.8 mtmm -124.25 85.58 55.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.37 3.67 3.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.277 3.318 . . . . 1.0 109.577 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -2.77 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.8 mt -116.14 2.23 13.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.806 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.4 OUTLIER -62.85 -37.11 85.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -10.64 49.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 6.3 m-20 -112.53 -33.33 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.21 49.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.37 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.427 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.72 131.27 31.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.5 -51.14 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.87 132.83 53.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.3 mttp 67.99 52.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 51.7 p -123.04 164.4 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.43 -31.5 61.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -95.76 109.19 44.86 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.76 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.448 -1.182 0 C-N-CA 124.3 3.333 . . . . 1.0 109.615 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.418 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 122.114 0.959 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 43' ' ' TYR . 12.2 Cg_endo -51.52 171.79 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.314 3.342 . . . . 1.0 109.567 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.19 124.1 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.517 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 p -58.87 129.68 85.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.803 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 61.7 Cg_exo -56.05 137.34 78.94 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.339 3.359 . . . . 1.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -70.34 126.77 92.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -35.57 139.1 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.304 3.336 . . . . 1.0 109.567 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.11 140.83 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.3 mm-40 -84.18 142.36 30.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 11' ' ' VAL . 69.6 t -111.45 52.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -39.71 145.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.13 -126.63 2.23 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.1 p -69.09 -57.18 5.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.766 . . . . 1.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.9 25.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 1.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.13 145.17 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 10' ' ' GLU . 17.6 m -122.14 113.84 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 105' ' ' CYS . 16.5 t -117.05 119.65 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -74.65 150.94 39.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -134.48 118.26 13.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 37.8 Cg_endo -88.83 130.05 2.15 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.28 3.32 . . . . 1.0 109.625 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.803 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 4.5 m80 -84.05 -29.74 26.62 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.121 0.888 . . . . 1.0 109.789 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.2 -64.41 1.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 95.2 Cg_exo -41.51 -53.14 3.36 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -89.95 52.53 2.31 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.128 0.892 . . . . 1.0 109.76 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -30.96 18.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -39.13 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.84 124.66 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -55.17 161.61 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.4 m -82.64 -29.47 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.23 -23.55 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.5 m -66.84 -44.77 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.5 m -94.64 -56.4 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.2 m-70 -79.99 69.8 6.44 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.697 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 8.1 p80 -56.04 143.06 33.92 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.123 0.889 . . . . 1.0 109.783 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.35 150.19 46.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -108.51 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 54.87 46.45 24.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.31 35.54 88.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 1.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 138.17 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 1.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 42' ' ' SER . 8.0 tt0 -59.87 140.73 56.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -156.04 171.6 19.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 1.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.6 m-85 -155.09 -72.65 0.12 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.798 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 33.8 -148.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 170.06 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 59.5 m -89.99 22.48 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.9 59.27 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.1 m -104.42 145.68 29.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 1.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 74.7 p -37.58 125.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 1.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -39.52 2.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 1.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -91.33 -143.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.514 ' NE2' HG11 ' A' ' 67' ' ' VAL . 17.9 m80 -65.19 61.06 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.75 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -75.43 -41.87 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 13.7 t0 -63.89 116.32 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 3.5 mt -105.88 -34.36 7.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.5 m -63.94 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 1.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -41.91 157.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -71.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -83.45 169.7 15.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.33 141.95 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 1.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.74 -6.92 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -110.55 14.14 22.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -103.58 142.14 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.53 -31.97 32.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -69.13 -44.44 72.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.1 t80 -59.46 -18.42 39.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.862 -0.59 . . . . 1.0 109.809 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 68' ' ' VAL . 27.7 m -110.41 48.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 67' ' ' VAL . 18.4 t -161.32 -49.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.9 m80 -109.2 35.14 3.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.727 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -107.83 103.47 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -93.48 -8.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.15 -159.83 9.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -94.42 137.16 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 1.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.623 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.1 mt -140.78 -171.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -79.7 -26.45 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.566 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 31.5 m80 -128.49 -172.2 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.575 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -98.18 125.88 43.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.396 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -83.75 170.81 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.58 -68.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 108.268 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 68' ' ' VAL . 1.9 mp -46.36 -32.48 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.2 -66.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 t -53.7 -49.07 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 1.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 86' ' ' VAL . 44.6 m170 -49.26 -59.8 3.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.781 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -46.27 -38.12 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -73.99 -32.68 63.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.6 t -64.77 -59.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 1.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.9 m -53.87 -21.94 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.98 -33.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.74 -42.56 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' VAL . 10.4 mmmt -112.98 93.39 24.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.83 8.47 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 1.0 109.572 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -3.64 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.279 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.06 4.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.832 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -61.93 -27.61 68.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -90.79 16.34 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.42 -44.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 36.1 mt -78.55 -40.71 34.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 94' ' ' LYS . 30.9 p -118.05 -17.76 9.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -35.74 128.52 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 1.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.3 m -84.73 -51.37 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.58 134.11 50.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.4 49.14 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 3.9 p -114.33 165.83 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -57.84 -19.85 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -94.95 -72.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 1.0 108.327 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 97.5 m-70 -85.38 110.4 28.87 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 19.2 Cg_exo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 122.087 0.946 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.56 171.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.293 3.329 . . . . 1.0 109.622 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.33 126.79 32.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -54.47 129.23 61.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 50.6 Cg_exo -57.15 149.74 61.52 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.338 3.359 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.54 -73.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 125.43 59.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -35.28 118.67 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 19' ' ' MET . 29.8 m -92.01 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -102.54 144.37 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 11' ' ' VAL . 76.7 t -112.03 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -43.46 144.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.02 -128.18 2.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 1.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 p -71.89 -55.94 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 1.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.32 26.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -135.4 157.13 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -129.13 125.62 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 121.22 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 mmt -75.45 151.28 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -138.75 115.26 8.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 40.6 Cg_endo -83.48 131.79 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.315 3.343 . . . . 1.0 109.627 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.433 ' NE2' ' HG2' ' A' ' 5' ' ' PRO . 3.8 m-70 -87.83 -38.11 15.97 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.077 0.861 . . . . 1.0 109.747 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.53 -65.56 0.6 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 82.7 Cg_exo -38.46 -50.62 2.3 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.316 3.344 . . . . 1.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -89.02 50.94 2.04 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.178 0.924 . . . . 1.0 109.795 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -89.21 -28.43 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -39.99 28.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 77.1 t -52.71 129.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 7.4 mt-10 -45.88 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.92 -0.57 36.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 1.0 108.209 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.91 0.43 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.3 m -78.72 -43.66 25.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 1.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.24 -61.19 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 108.362 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.57 74.26 1.47 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.795 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.437 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 13.8 p80 -67.1 134.79 52.51 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.19 0.931 . . . . 1.0 109.773 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.6 mt -47.4 146.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.2 t -98.73 87.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 63.28 43.5 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.7 31.64 70.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 1.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -138.21 120.69 16.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 1.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.68 134.97 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -152.25 164.99 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.0 110.007 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 70.4 m-85 -158.19 35.04 0.24 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.878 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.04 175.77 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 161.73 6.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.629 ' O ' HD13 ' A' ' 64' ' ' LEU . 42.4 m -87.76 29.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 1.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.44 55.9 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 1.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -101.84 145.57 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 1.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' SER . 59.9 p -37.94 124.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.26 -37.54 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 1.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -90.76 -145.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.002 . . . . 1.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.672 ' NE2' HG11 ' A' ' 67' ' ' VAL . 21.3 m80 -65.35 59.56 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.723 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -70.52 -41.45 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 14.1 t0 -68.66 119.77 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 1.04 13.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.6 m -100.42 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.05 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -83.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.84 168.28 20.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.42 137.59 5.55 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -5.61 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 1.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.62 6.92 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -97.25 140.48 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.947 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 46' ' ' CYS . 55.2 tp -83.99 -22.44 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -77.2 -41.62 40.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.846 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.612 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.4 t80 -67.8 -4.28 12.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.932 -0.556 . . . . 1.0 109.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.672 HG11 ' NE2' ' A' ' 52' ' ' HIS . 6.0 m -116.07 29.06 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.6 t -143.84 -50.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HA ' HD22 ' A' ' 80' ' ' LEU . 3.5 m80 -104.05 28.71 6.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.786 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.55 90.93 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -88.16 -17.15 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.2 -156.87 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 1.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.44 135.41 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 3.9 mt -143.31 -170.22 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -91.35 -23.33 20.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 32.3 m80 -127.53 -169.51 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 m -103.71 121.41 42.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 49.4 m -85.03 168.53 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 1.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.429 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -67.59 -67.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 108.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 68' ' ' VAL . 6.2 mp -44.98 -25.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -69.92 -50.98 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 t -93.61 31.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 2.4 m170 -131.67 -51.47 0.99 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.735 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.4 ' HA ' HG21 ' A' ' 98' ' ' THR . 22.3 p -67.84 -25.29 65.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.024 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mptp? -90.76 -33.33 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.71 -44.14 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 94' ' ' LYS . 27.4 m -60.26 -22.47 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.34 -34.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.78 -41.85 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -122.48 86.14 48.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.91 1.94 4.07 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.341 3.361 . . . . 1.0 109.62 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -3.75 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 1.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.58 0.63 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 1.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -55.38 -25.74 37.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.444 ' CE ' ' O ' ' A' ' 101' ' ' ALA . 10.4 tptm -99.71 38.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 1.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.38 -50.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.2 -37.6 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.237 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -111.29 -49.47 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 1.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -19.72 128.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 1.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 9.5 m -83.1 -53.49 5.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.444 ' O ' ' CE ' ' A' ' 95' ' ' LYS . . . -95.41 137.91 33.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.75 57.64 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.7 p -124.71 165.4 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 1.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -58.92 -28.92 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -77.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 94.7 m-70 -82.03 141.69 47.27 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.739 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.308 3.339 . . . . 1.0 109.581 179.889 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.441 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 9.7 Cg_endo -48.77 168.22 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.293 3.329 . . . . 1.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 132.99 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -62.36 125.99 86.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 72.8 Cg_exo -53.23 138.68 63.95 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.302 3.334 . . . . 1.0 109.613 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.8 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -67.72 131.46 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.3 140.71 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.248 3.298 . . . . 1.0 109.566 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.46 141.44 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 17' ' ' THR . 3.0 mm-40 -90.42 135.2 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 11' ' ' VAL . 94.8 t -102.89 63.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -40.68 143.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.81 -123.4 2.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 1.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -85.85 -54.9 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 1.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.78 36.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -155.52 160.78 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.587 HG23 ' HB3' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -131.04 121.87 25.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 110.411 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.69 115.05 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -64.67 148.98 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -138.43 109.46 8.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.619 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 Cg_endo -81.34 124.54 4.81 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.309 3.34 . . . . 1.0 109.576 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -79.27 -37.97 36.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.129 0.893 . . . . 1.0 109.744 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.2 -69.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 1.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.967 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.4 Cg_exo -33.99 -39.37 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.251 3.301 . . . . 1.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -100.31 54.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.131 0.894 . . . . 1.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.4 mm-40 -91.71 -33.36 15.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 1.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.0 -31.47 44.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' GLU . 63.8 t -59.89 128.27 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -46.45 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 1.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.75 -2.94 29.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.313 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.01 -2.6 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -77.27 -39.31 48.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 m -99.07 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.57 76.26 3.27 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.722 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 9.7 p80 -61.96 148.2 44.51 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.19 0.931 . . . . 1.0 109.808 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -66.09 150.98 47.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.24 103.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 55.05 45.89 25.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.04 32.06 82.91 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 1.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 133.11 36.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.21 134.27 56.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.12 163.04 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 55.1 m-85 -159.2 37.68 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.809 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.4 178.79 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -62.61 144.18 56.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -64.0 -34.86 78.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -106.39 54.76 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 1.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' SER . 12.2 m -93.21 144.29 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 1.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -38.18 123.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 109.971 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.67 3.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.4 m -85.48 -144.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.998 . . . . 1.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.435 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 31.9 m-70 -65.39 58.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.781 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -69.26 -46.52 67.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.4 t0 -66.56 119.7 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 1.16 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 m -99.32 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 1.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.542 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.29 150.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.25 167.3 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.33 6.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 1.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -7.59 48.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 15.43 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -107.25 133.89 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 tp -77.59 -21.18 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -78.03 -40.7 37.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 12.4 t80 -61.15 -11.19 8.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -124.47 57.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 67' ' ' VAL . 5.2 t -163.39 -48.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.683 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.6 m80 -111.97 25.22 11.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.773 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -93.02 118.63 31.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -110.29 6.95 22.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.53 -155.43 31.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.162 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.17 139.57 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 1.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.9 -169.53 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -80.36 -18.9 47.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 26.9 m80 -143.29 -171.93 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -96.49 129.99 43.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.85 170.98 10.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' C ' ' N ' ' A' ' 81' ' ' ALA . 3.1 m -69.88 -67.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 1.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -46.98 -23.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.38 -50.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 42.5 t -92.59 36.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' NE2' HD13 ' A' ' 97' ' ' LEU . 0.4 OUTLIER -133.7 -64.16 0.72 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.752 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -55.44 -19.63 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.994 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -96.29 -38.86 9.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 19.9 t -51.57 -38.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 94' ' ' LYS . 15.5 m -63.93 -22.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.02 -39.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.25 -25.47 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.805 ' HD3' HD12 ' A' ' 93' ' ' LEU . 13.5 ptpt -126.79 85.99 59.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.23 8.79 3.08 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.244 3.296 . . . . 1.0 109.609 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 0.24 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.805 HD12 ' HD3' ' A' ' 90' ' ' LYS . 88.6 mt -122.74 7.1 9.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.925 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -58.03 -31.93 67.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.88 19.06 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-20 -130.57 -43.4 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.586 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -106.57 51.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.26 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -52.08 132.54 37.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.53 -52.32 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.04 131.77 52.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 66.54 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.5 p -127.05 164.34 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -56.03 -27.68 54.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.9 m -85.71 -68.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -88.28 112.45 49.75 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.303 3.335 . . . . 1.0 109.59 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 122.063 0.935 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.76 174.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.366 3.377 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.85 134.66 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.6 p -52.51 124.18 32.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.698 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.2 Cg_exo -56.36 138.91 85.54 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.253 3.302 . . . . 1.0 109.632 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 -65.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.267 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.21 130.13 93.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.65 140.87 2.63 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.84 140.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' HG21 ' A' ' 17' ' ' THR . 2.3 mm-40 -83.96 136.68 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' ' 11' ' ' VAL . 95.9 t -107.92 56.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -41.56 140.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.79 -125.17 2.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 1.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -70.47 -57.58 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 1.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.36 25.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -134.14 157.22 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.415 HG21 ' OE1' ' A' ' 10' ' ' GLU . 21.9 m -127.52 114.02 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 1.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.41 108.17 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -68.61 140.4 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -128.71 120.68 20.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.7 Cg_endo -86.64 135.84 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.332 3.355 . . . . 1.0 109.632 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.3 m80 -88.21 -37.33 16.2 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.161 0.913 . . . . 1.0 109.735 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.34 -69.85 0.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.7 Cg_exo -38.97 -41.08 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 49.6 m80 -100.68 43.13 1.07 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.146 0.904 . . . . 1.0 109.775 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.89 -27.12 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -83.24 -37.52 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.97 126.26 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.81 151.13 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.7 m -74.89 -28.05 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 108.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -67.41 -23.38 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 m -65.41 -44.75 86.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.21 -56.91 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.08 72.71 5.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.721 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.607 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 17.2 p80 -61.2 145.32 51.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.156 0.91 . . . . 1.0 109.756 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.82 149.25 31.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 1.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.551 HG21 HBC2 ' A' ' 251' ' ' HEM . 1.6 t -107.38 115.0 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 49.71 37.58 13.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.73 34.17 77.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 1.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 147.6 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.35 135.6 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.618 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -148.04 166.06 28.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' SER . 69.5 m-85 -160.68 34.35 0.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.843 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.0 178.1 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.093 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.502 ' O ' HMC1 ' A' ' 251' ' ' HEM . 13.5 mttt -61.66 144.71 54.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.08 -31.87 71.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -115.23 58.72 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m -90.74 143.78 26.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 1.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -39.1 114.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 1.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.79 -41.76 2.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.2 m -85.89 -142.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 67' ' ' VAL . 41.6 m-70 -66.22 58.83 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.73 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.13 -44.67 52.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 109.268 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 42.3 t0 -61.54 119.27 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.94 0.67 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 1.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.5 m -98.41 -60.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -47.68 146.88 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -67.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.37 153.75 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.14 142.8 5.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 1.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -75.85 -1.54 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.58 9.99 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -100.89 126.17 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 1.0 110.044 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.14 -16.0 63.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -83.4 -43.33 16.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 9.6 t80 -61.25 -16.32 44.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.893 -0.575 . . . . 1.0 109.839 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -109.82 46.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 67' ' ' VAL . 12.3 t -161.79 -49.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.529 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -108.34 36.48 2.8 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.738 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -112.92 95.42 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.58 -15.42 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 -157.97 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 1.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -85.81 136.05 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 1.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' OG ' ' A' ' 78' ' ' SER . 5.9 mt -143.6 -171.2 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -93.21 -28.37 16.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.607 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 29.8 m80 -122.23 -171.99 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -99.05 125.15 44.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -85.5 165.23 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.0 110.0 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.414 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.7 m -71.24 -65.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.8 mm? -48.61 -29.84 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.7 t -47.16 -61.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.709 ' O ' HG22 ' A' ' 87' ' ' VAL . 40.3 m170 -37.76 -52.53 1.28 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.772 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -53.12 -46.32 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.003 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -68.79 -33.97 74.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.9 -63.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 83' ' ' HIS . 17.0 m -52.47 -20.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.3 -34.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.15 -35.51 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.93 85.74 50.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.07 6.66 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.305 3.337 . . . . 1.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -5.95 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 93' ' ' LEU . 28.6 mt -109.98 -0.55 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -56.24 -28.4 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 4.26 14.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.666 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.4 m-20 -126.51 -43.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -103.99 50.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 161.99 -27.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.07 129.13 31.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.87 -50.21 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 134.52 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.29 56.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.5 p -124.72 164.32 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -19.13 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -70.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -88.0 112.53 49.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.751 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.283 3.322 . . . . 1.0 109.57 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.581 HBC2 ' HB3' ' A' ' 25' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.705 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.624 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.822 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 122.085 0.945 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.0 168.9 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.323 3.348 . . . . 1.0 109.591 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.74 135.55 33.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.3 p -57.36 122.35 54.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 1.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.55 ' HD3' ' CHB' ' A' ' 233' ' ' HEM . 75.4 Cg_exo -52.52 137.04 57.82 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.315 3.343 . . . . 1.0 109.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 139.6 86.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -43.0 144.9 1.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.295 3.33 . . . . 1.0 109.616 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.29 142.99 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 4.1 pt-20 -86.33 132.82 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 110.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 11' ' ' VAL . 59.8 t -104.77 64.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -47.06 142.62 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 1.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.67 -110.8 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.31 -48.83 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 1.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -154.33 29.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -149.43 151.71 34.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 9.9 m -125.43 120.22 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 t -115.1 116.28 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -70.0 150.05 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 61.6 t80 -137.86 117.84 10.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.774 ' HG3' HBA1 ' A' ' 282' ' ' HEM . 35.2 Cg_endo -83.8 124.41 3.47 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.297 3.331 . . . . 1.0 109.588 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -81.2 -36.98 29.4 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.14 0.9 . . . . 1.0 109.747 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.031 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.47 -67.79 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.031 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.3 Cg_exo -39.73 -43.44 3.2 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.343 3.362 . . . . 1.0 109.598 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.548 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 58.5 m80 -96.1 45.02 1.07 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.151 0.907 . . . . 1.0 109.763 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.9 tm-20 -89.3 -26.39 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -83.33 -43.49 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.448 HG13 HG21 ' A' ' 32' ' ' THR . 79.8 t -48.96 127.53 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE1' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -42.29 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 1.2 t -89.65 -24.86 21.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 1.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG12 ' OE1' ' A' ' 29' ' ' GLU . 9.9 p -90.42 1.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.448 HG21 HG13 ' A' ' 28' ' ' VAL . 42.2 m -77.66 -44.74 27.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 13.4 m -97.71 -58.72 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 108.267 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.89 67.98 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.747 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.65 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 13.6 p80 -56.71 152.39 12.33 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.164 0.915 . . . . 1.0 109.762 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.35 147.9 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.3 t -106.07 98.26 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.84 35.61 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.16 33.02 65.17 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 1.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 120.42 15.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -46.55 136.8 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.11 165.14 33.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 1.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.1 m-85 -160.86 33.88 0.15 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.925 -1.034 . . . . 1.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.44 -177.73 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.21 138.21 58.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 72.3 m -55.85 -32.39 63.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 1.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.83 57.45 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 1.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 16.2 m -91.1 144.07 26.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 1.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 49.4 m -38.1 119.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.37 -42.38 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 1.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.2 m -84.27 -143.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.888 ' CE1' HG11 ' A' ' 67' ' ' VAL . 30.3 m-70 -65.71 57.62 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.777 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -72.1 -40.91 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 5.6 t70 -64.16 117.76 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.18 1.56 15.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -98.88 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 1.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -44.52 155.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -38.1 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -109.54 152.52 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.0 139.66 4.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 1.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.87 -6.49 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 1.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 12.6 26.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.92 138.47 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.04 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 tp -80.17 -28.94 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.412 ' HE2' ' C4A' ' A' ' 305' ' ' HEM . 41.3 t80 -72.65 -44.26 62.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.879 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.2 t80 -60.58 -15.93 32.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.939 -0.553 . . . . 1.0 109.848 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.888 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.6 m -107.65 40.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.506 ' O ' HD13 ' A' ' 80' ' ' LEU . 15.2 t -154.09 -50.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 1.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 68' ' ' VAL . 1.3 m80 -105.71 37.47 2.23 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.796 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.86 101.52 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -93.16 -6.72 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.11 -160.56 24.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.162 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.3 pm0 -94.82 138.37 32.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB1' ' A' ' 70' ' ' ALA . 1.4 mt -140.98 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -87.7 -24.14 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.65 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 28.3 m170 -128.24 -173.02 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 1.0 109.542 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.33 126.93 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.0 m -87.08 171.34 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 1.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.443 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.0 OUTLIER -70.96 -72.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.1 mp -39.9 -31.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -63.12 -69.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -50.8 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.613 ' O ' HG22 ' A' ' 87' ' ' VAL . 32.3 m170 -36.1 -51.94 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.014 -0.993 . . . . 1.0 109.773 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.67 -49.8 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 1.0 109.998 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.7 mtpm? -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.8 t -73.43 -66.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 83' ' ' HIS . 29.6 m -50.56 -22.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.7 -35.98 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.77 -36.68 15.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -122.92 85.3 50.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.16 4.68 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.3 3.333 . . . . 1.0 109.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -9.4 49.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.2 mt -107.99 -1.16 20.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 1.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -54.84 -27.79 44.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 7.3 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 97' ' ' LEU . 75.1 m-20 -129.09 -44.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.818 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -101.33 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 165.15 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -48.42 130.89 20.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.5 m -79.82 -48.67 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.29 49.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt 65.8 48.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 13.9 p -117.54 166.12 12.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 0.4 OUTLIER -61.98 -18.9 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 60.1 m -93.67 -70.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 93.7 m-70 -91.72 110.38 43.09 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.052 -0.976 . . . . 1.0 109.752 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 31.7 Cg_exo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 124.341 3.36 . . . . 1.0 109.549 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.55 ' CHB' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.514 HBA2 HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.818 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.412 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 122.094 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.6 Cg_endo -50.52 170.76 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.292 3.328 . . . . 1.0 109.615 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.42 34.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.328 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 p -55.52 127.51 66.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.732 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.6 Cg_exo -54.17 137.28 70.19 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.295 3.33 . . . . 1.0 109.61 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 -59.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 1.0 109.315 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 17.3 mmtt -75.61 140.99 72.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 75.2 Cg_exo -44.97 148.35 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.286 3.324 . . . . 1.0 109.621 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.05 140.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.311 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.9 mm-40 -84.08 143.31 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 11' ' ' VAL . 87.0 t -114.63 63.86 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 10.4 mmtt -40.44 141.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 -134.58 3.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -54.82 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 1.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.45 27.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -135.66 159.88 40.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.8 m -129.41 109.57 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.62 117.78 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mmm -71.0 148.57 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -139.57 114.63 8.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.593 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 59.9 Cg_endo -83.29 132.92 6.18 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.289 3.326 . . . . 1.0 109.586 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.732 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.4 m80 -85.1 -36.1 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.173 0.921 . . . . 1.0 109.735 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.989 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.24 -71.43 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.989 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 74.5 Cg_exo -36.47 -44.57 0.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.286 3.324 . . . . 1.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 67.2 m80 -95.64 47.22 1.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.12 0.887 . . . . 1.0 109.723 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -90.36 -27.38 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.33 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -36.35 35.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 32' ' ' THR . 81.9 t -69.53 117.33 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' HMC1 ' A' ' 233' ' ' HEM . 7.0 mm-40 -47.97 165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -82.15 -30.91 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.66 -25.8 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.429 HG21 HG13 ' A' ' 28' ' ' VAL . 10.3 m -63.61 -42.67 98.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 110.441 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.31 -58.48 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 108.345 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.3 m-70 -77.12 71.09 3.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.729 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 12.2 p80 -59.1 143.27 49.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.086 0.866 . . . . 1.0 109.752 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.54 146.65 39.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG21 HBC2 ' A' ' 251' ' ' HEM . 3.7 t -106.1 114.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.73 31.04 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 1.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.74 60.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 1.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -139.35 137.82 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 1.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.76 135.1 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -147.25 160.28 42.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.0 110.005 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 42' ' ' SER . 59.2 m-85 -159.17 33.16 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.818 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.88 178.72 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -62.14 134.58 56.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -51.24 -33.2 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 1.0 108.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -114.31 58.47 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 1.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.8 m -89.23 143.02 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 1.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' SER . 51.1 m -37.53 112.73 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.1 -45.71 1.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -81.9 -142.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.856 ' CE1' HG11 ' A' ' 67' ' ' VAL . 32.6 m-70 -66.41 57.33 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.746 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -77.58 -38.63 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.681 ' OD2' ' HB3' ' A' ' 57' ' ' ALA . 14.2 t70 -59.66 124.3 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 1.5 mt -120.21 8.96 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.55 -57.46 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 1.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.681 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -49.61 141.93 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -52.59 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.97 169.5 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 144.7 7.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -75.54 -3.51 34.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 1.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 8.17 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.62 139.24 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 58.6 tp -84.25 -17.45 39.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 21.4 t80 -83.49 -43.03 16.22 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.83 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 34.5 t80 -67.33 -4.46 10.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.952 -0.546 . . . . 1.0 109.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.856 HG11 ' CE1' ' A' ' 52' ' ' HIS . 11.0 m -113.85 35.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 94.4 t -158.11 -47.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.1 m80 -99.63 20.55 13.8 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.814 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -97.44 103.73 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.67 -8.86 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.86 -158.66 3.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.43 136.57 32.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 1.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 HBA2 ' A' ' 251' ' ' HEM . 3.4 mt -142.02 -169.81 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -88.12 -35.61 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 38.0 m80 -118.45 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -98.88 130.57 45.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.03 172.96 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.527 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.3 m -77.43 -67.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -22.4 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -65.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.411 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 42.6 t -50.56 -57.22 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 108.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 87' ' ' VAL . 54.7 m170 -39.12 -55.75 1.57 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.757 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -49.06 -50.07 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 1.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 14.5 mttt -63.43 -31.31 72.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 88' ' ' ALA . 75.0 t -72.5 -66.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 83' ' ' HIS . 33.1 m -49.9 -22.83 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.87 -34.56 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.52 -37.43 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.92 85.83 50.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.69 4.96 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.348 3.365 . . . . 1.0 109.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.34 -10.45 44.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.262 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.3 mt -106.9 -1.06 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 1.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -54.53 -30.33 53.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.68 4.99 12.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -127.31 -44.3 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 1.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.633 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -99.54 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 162.53 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -45.14 127.61 7.75 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.556 1.16 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.1 m -76.93 -48.46 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.94 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 63.33 53.28 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 8.5 p -119.48 166.25 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 1.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -16.24 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.14 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 108.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -79.29 114.07 41.82 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.77 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.446 -1.267 0 C-N-CA 124.321 3.347 . . . . 1.0 109.636 179.841 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.56 HBC2 ' HB3' ' A' ' 25' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.554 HBA2 HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.633 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.408 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.103 0.954 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.74 171.05 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.314 3.342 . . . . 1.0 109.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.04 136.72 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -59.14 123.3 68.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.7 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.2 Cg_exo -54.3 142.54 68.22 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.309 3.339 . . . . 1.0 109.593 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -67.25 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 127.42 92.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -36.82 141.36 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.322 3.348 . . . . 1.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.73 140.23 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.32 132.58 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.808 HG22 ' O2D' ' A' ' 233' ' ' HEM . 60.9 t -102.22 74.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -46.9 152.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.84 -136.71 3.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -88.86 -30.81 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.88 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.31 161.73 40.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -132.92 140.63 47.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -134.28 114.57 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 mmm -69.1 151.69 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 36.7 t80 -140.65 113.5 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 57.2 Cg_endo -83.5 131.72 5.64 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.345 3.363 . . . . 1.0 109.567 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.9 m80 -84.77 -35.74 22.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.102 0.876 . . . . 1.0 109.805 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.53 -71.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 53.6 Cg_exo -38.67 -40.2 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.331 3.354 . . . . 1.0 109.543 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.459 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 30.0 m80 -101.99 45.76 0.95 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.163 0.914 . . . . 1.0 109.81 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.91 -26.36 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.83 -38.72 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.1 116.41 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.603 ' O ' HMC1 ' A' ' 233' ' ' HEM . 0.7 OUTLIER -44.17 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.0 110.243 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -88.72 -24.09 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 1.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -21.32 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 m -70.81 -35.21 72.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 1.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.3 m -103.6 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.76 71.0 6.39 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.762 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 8.6 p80 -56.96 156.6 6.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.133 0.895 . . . . 1.0 109.775 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.13 146.5 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -109.78 107.7 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 57.65 48.47 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.33 33.55 61.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -135.37 154.56 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 1.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.66 137.18 40.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 1.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.639 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.47 160.34 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 42' ' ' SER . 57.4 m-85 -157.67 42.21 0.31 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.775 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.8 176.14 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.57 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.5 OUTLIER -53.75 165.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 63.7 m -91.47 19.26 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 108.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -162.55 61.09 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.1 m -104.89 147.9 27.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 70.9 m -37.19 128.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.54 -36.54 3.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.551 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 1.8 m -94.67 -146.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.651 ' CE1' HG11 ' A' ' 67' ' ' VAL . 17.2 m-70 -64.89 62.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.749 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -72.11 -48.72 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 24.1 t0 -56.78 122.41 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -113.18 0.22 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.4 m -101.13 -60.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -43.64 142.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 150.93 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.03 147.34 6.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 1.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HB2' ' CBD' ' A' ' 251' ' ' HEM . 1.7 pt-20 -82.16 9.85 7.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 1.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.54 15.19 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -107.96 131.47 54.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 46' ' ' CYS . 38.2 tp -70.92 -11.61 61.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -87.05 -40.86 14.31 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.839 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.72 -6.94 13.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.876 -0.583 . . . . 1.0 109.803 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 m -115.57 46.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.7 t -163.58 -48.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.57 ' HA ' HD22 ' A' ' 80' ' ' LEU . 1.1 m80 -109.82 36.7 2.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.768 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.87 95.06 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -14.98 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.93 -156.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 134.94 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 0.813 . . . . 1.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mt -143.2 -174.71 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -21.82 21.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.558 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 30.3 m170 -126.08 -173.11 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -103.04 126.27 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 45.0 m -88.77 167.87 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.3 m -66.71 -65.4 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.5 mp -46.1 -23.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -72.0 -51.36 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.571 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 35.0 t -92.79 29.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.641 ' O ' HG13 ' A' ' 87' ' ' VAL . 3.7 m170 -128.63 -57.13 1.2 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 87' ' ' VAL . 78.3 p -67.65 -23.3 65.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 1.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.3 mtpp -91.26 -32.76 15.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.15 -43.7 98.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 83' ' ' HIS . 21.1 m -58.16 -23.22 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.55 -36.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 4.3 mt-10 -92.26 -43.47 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 1.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -112.97 90.2 15.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 89' ' ' GLU . 60.7 Cg_endo -77.74 9.68 2.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.265 3.31 . . . . 1.0 109.617 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -9.21 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 1.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HB3' HD23 ' A' ' 97' ' ' LEU . 85.7 mt -107.54 -1.71 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -47.23 -25.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.48 40.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.579 ' C ' HD22 ' A' ' 97' ' ' LEU . 10.5 m-20 -156.43 -42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.064 HD11 ' CHA' ' A' ' 282' ' ' HEM . 1.2 mm? -108.52 36.07 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -171.3 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.65 125.9 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 1.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.5 m -71.26 -43.86 66.39 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.27 141.4 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.82 46.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.5 p -120.98 164.57 16.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -57.17 -17.89 13.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 1.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 72.8 m -93.99 -63.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 1.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -101.18 106.45 45.14 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.795 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.5 Cg_exo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.323 3.349 . . . . 1.0 109.57 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.808 ' O2D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.57 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 1.064 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.457 HBC1 ' CE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.105 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.95 172.82 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.336 3.358 . . . . 1.0 109.585 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.83 121.06 30.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 p -40.08 123.22 1.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.2 Cg_exo -53.47 139.29 65.7 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.262 3.308 . . . . 1.0 109.589 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -74.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 138.04 91.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.86 144.81 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.349 . . . . 1.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.56 142.87 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -93.4 131.58 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG22 ' O2D' ' A' ' 233' ' ' HEM . 65.5 t -104.37 68.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.57 141.55 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.05 -130.22 3.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 p -70.94 -58.1 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 1.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -151.92 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -135.86 147.05 48.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -126.24 111.39 14.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG11 ' SG ' ' A' ' 105' ' ' CYS . 77.4 t -110.33 120.91 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.93 153.04 38.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -141.88 119.38 7.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.613 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.0 Cg_endo -88.46 129.44 2.25 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 1.0 109.623 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -82.03 -32.99 30.22 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.164 0.915 . . . . 1.0 109.824 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.997 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.33 -72.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 84.1 Cg_exo -33.8 -39.47 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.312 3.341 . . . . 1.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.469 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 62.3 m80 -96.98 51.02 1.11 Allowed 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.113 0.883 . . . . 1.0 109.764 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.1 mt-10 -90.46 -29.0 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -80.78 -37.44 30.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 46.9 t -54.71 127.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -46.15 172.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.4 -0.82 34.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 1.0 108.357 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.61 -3.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -77.69 -39.08 45.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 17.1 m -96.92 -60.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.52 74.97 5.05 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.708 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.637 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 24.7 p80 -62.38 146.82 50.29 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 124.164 0.915 . . . . 1.0 109.763 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 40' ' ' LYS . 45.8 mt -69.91 152.3 44.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.41 126.27 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 1.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.46 35.9 15.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.38 91.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' O ' HD22 ' A' ' 36' ' ' LEU . 4.1 ptmt -129.74 177.67 7.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.97 137.44 40.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.69 164.5 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.991 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 61.7 m-85 -156.88 31.45 0.3 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.71 179.47 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -65.22 138.48 58.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' HA ' ' HHC' ' A' ' 251' ' ' HEM . 71.2 m -52.75 -32.87 45.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -111.8 57.63 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.7 m -94.13 144.03 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 1.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.8 m -37.63 123.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.0 109.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -32.33 7.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -93.03 -145.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.954 ' CE1' HG11 ' A' ' 67' ' ' VAL . 38.6 m-70 -64.51 61.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.91 -48.33 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 45.5 t0 -57.13 119.6 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.92 -1.15 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -96.74 -62.83 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -50.1 147.95 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -36.26 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 134.4 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.18 148.13 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 1.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.37 7.84 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -118.13 8.96 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.705 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -98.82 119.67 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.98 -15.65 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 31.5 t80 -84.82 -39.78 17.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.859 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.68 -0.43 5.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 118.904 -0.569 . . . . 1.0 109.803 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.954 HG11 ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.81 38.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.755 ' O ' HD13 ' A' ' 80' ' ' LEU . 51.9 t -160.09 -48.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HD22 ' A' ' 80' ' ' LEU . 2.1 m80 -105.28 35.46 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.781 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -114.22 93.79 4.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 1.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.01 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.99 -159.29 0.41 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 1.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 1.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' GLU . 10.9 mt -148.31 -171.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -26.44 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.637 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 27.9 m170 -126.55 -169.4 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -105.05 127.35 52.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.59 171.19 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -69.37 -66.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 68' ' ' VAL . 8.3 mp -47.21 -23.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.37 -51.01 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.627 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 48.9 t -93.63 34.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 108.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.706 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.2 m170 -132.91 -45.61 0.86 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.766 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -73.88 -16.68 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.995 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 40.6 mttt -94.03 -35.14 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.96 -40.68 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.556 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.9 m -64.32 -19.57 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.3 -40.86 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.73 -21.69 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 1.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HE3' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -132.43 87.75 41.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.95 9.74 3.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.321 3.347 . . . . 1.0 109.62 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.07 -2.13 35.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.581 HD12 ' HE3' ' A' ' 90' ' ' LYS . 18.6 mt -116.14 1.0 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -89.47 16.81 7.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' HD23 ' A' ' 97' ' ' LEU . 9.1 m-20 -131.44 -44.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.897 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -107.06 49.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.7 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -49.18 130.69 24.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 1.0 108.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.98 130.72 55.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 68.09 55.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 28.5 p -123.87 165.68 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -58.36 -18.05 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.449 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -97.77 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 108.312 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -93.03 110.33 45.27 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 50.3 Cg_exo . . . . . 0 N--CA 1.447 -1.258 0 C-N-CA 124.303 3.335 . . . . 1.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.516 ' O2D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.815 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.897 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.824 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 122.056 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.73 171.89 1.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.302 3.335 . . . . 1.0 109.593 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.0 116.43 18.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.318 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 p -47.32 122.15 7.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.733 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.4 Cg_exo -54.08 138.02 70.39 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.273 3.315 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.66 -65.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.51 128.47 93.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -38.89 141.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.296 3.331 . . . . 1.0 109.612 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.99 138.48 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.306 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 147.48 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 11' ' ' VAL . 99.1 t -116.31 59.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -43.61 143.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.11 -129.84 2.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 p -69.67 -57.37 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 1.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 27.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -136.49 150.13 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -125.58 112.88 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.16 118.8 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 mmt -73.92 153.72 39.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 34.9 t80 -140.93 114.94 7.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 38.2 Cg_endo -86.4 135.67 4.46 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.272 3.315 . . . . 1.0 109.621 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.733 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 3.6 m80 -86.04 -37.13 19.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.138 0.899 . . . . 1.0 109.773 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.66 -68.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 73.4 Cg_exo -39.86 -36.58 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.33 3.353 . . . . 1.0 109.606 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -104.0 42.25 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 O-C-N 124.157 0.911 . . . . 1.0 109.76 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 tp10 -100.59 42.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -46.15 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 32' ' ' THR . 3.1 t -72.11 140.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.42 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 3.6 m -97.82 24.18 7.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.18 -20.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 1.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.689 HG21 HG11 ' A' ' 28' ' ' VAL . 20.9 m -66.89 -41.24 87.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 30' ' ' CYS . 98.4 m-70 -76.19 71.22 2.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.732 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.458 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 5.4 p80 -59.66 146.3 41.64 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.112 0.883 . . . . 1.0 109.755 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 149.51 39.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -112.02 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t70 67.43 40.38 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.45 31.66 81.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -135.56 149.03 49.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 1.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.11 140.84 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -155.0 163.03 40.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 1.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 67.1 m-85 -159.06 35.17 0.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.829 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 179.95 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -58.03 165.0 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 65.3 m -92.82 22.09 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 59.4 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.2 m -102.03 148.62 25.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 1.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 92.3 p -37.64 124.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.87 -38.93 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.1 m -90.99 -145.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.807 ' CE1' HG11 ' A' ' 67' ' ' VAL . 19.2 m-70 -66.03 60.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -81.41 -32.62 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 9.6 t70 -66.14 124.1 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.89 8.61 10.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -52.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -63.44 154.05 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.9 -35.23 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -104.6 149.7 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.86 147.64 7.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.27 1.58 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 1.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -110.37 7.13 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -99.45 133.62 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 1.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.94 -14.56 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -85.7 -41.5 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.975 -1.012 . . . . 1.0 109.846 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -65.66 -5.24 7.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.907 -0.568 . . . . 1.0 109.846 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' A' ' 52' ' ' HIS . 10.1 m -120.28 39.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.807 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.5 t -153.71 -50.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -107.71 39.68 1.87 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -108.03 105.2 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -98.28 -8.76 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.08 -157.99 8.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 1.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mt -142.03 -170.23 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -89.64 -26.35 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.458 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 30.3 m80 -124.01 -170.88 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -101.1 123.78 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -83.71 164.8 19.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.5 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -68.66 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 68' ' ' VAL . 4.6 mp -49.08 -29.41 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -62.44 -67.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -52.51 -54.05 37.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 87' ' ' VAL . 37.2 m170 -44.06 -56.93 3.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.766 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -48.88 -51.03 32.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 110.023 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -64.67 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.36 -62.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.6 m -53.22 -20.77 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.15 -38.39 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.99 -37.53 18.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 91.78 49.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.81 8.5 3.4 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.313 3.342 . . . . 1.0 109.604 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.1 -5.95 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.8 mt -111.06 -0.86 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.1 ttmt -57.06 -32.22 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -7.39 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.661 ' C ' HD23 ' A' ' 97' ' ' LEU . 11.9 m-20 -115.61 -42.17 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.43 47.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.45 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 1.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -46.46 128.14 10.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -77.89 -47.27 19.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.17 52.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.0 42.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.0 p -113.84 166.37 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.46 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 7.9 mmmt -59.14 -23.54 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.459 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -90.02 -59.71 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -102.27 104.3 36.22 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 32.5 Cg_exo . . . . . 0 N--CA 1.447 -1.243 0 C-N-CA 124.323 3.349 . . . . 1.0 109.617 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.544 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.509 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.624 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.801 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 122.064 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 11.4 Cg_endo -50.79 169.98 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.295 3.33 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.78 139.09 40.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.77 127.17 93.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.635 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 72.6 Cg_exo -55.3 140.68 81.87 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 1.0 109.586 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -67.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 1.0 109.324 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 136.36 96.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.78 135.08 7.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.329 3.353 . . . . 1.0 109.646 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.87 140.66 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.1 151.1 23.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' VAL . 71.2 t -123.99 62.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 142.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.63 -127.1 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -56.96 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -160.15 25.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -137.83 155.92 48.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -124.13 119.92 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.27 114.59 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -66.36 150.17 49.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 41.9 t80 -138.25 112.16 8.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 43.8 Cg_endo -84.38 130.06 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.266 3.311 . . . . 1.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.635 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -83.65 -34.74 24.97 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.123 0.889 . . . . 1.0 109.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.999 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.55 -67.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.999 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 89.3 Cg_exo -39.23 -35.51 0.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.297 3.331 . . . . 1.0 109.589 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -108.95 50.15 0.79 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.134 0.896 . . . . 1.0 109.787 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 10.2 tt0 -91.96 -27.87 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -83.01 -39.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.39 125.23 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -53.43 152.65 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -75.93 -28.15 57.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.41 -21.62 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 1.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 m -69.61 -36.63 76.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 4.4 m -102.36 -56.32 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 108.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -78.95 68.11 4.82 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.768 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 6.6 p80 -56.27 143.04 35.36 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.173 0.921 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.18 147.48 35.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.41 108.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.7 t0 53.3 46.1 27.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.06 32.95 84.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 1.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 166.25 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.77 134.54 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.97 163.59 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.969 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.8 m-85 -159.36 35.35 0.2 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.817 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.11 174.28 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.503 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -55.82 163.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.697 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.7 m -89.25 25.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.2 57.1 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 15.1 m -101.87 144.75 30.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 1.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -36.09 125.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.965 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.08 -38.85 2.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.8 m -90.77 -144.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.966 ' CE1' HG11 ' A' ' 67' ' ' VAL . 24.4 m-70 -66.33 60.02 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -68.74 -48.01 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 44.9 t0 -60.15 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -118.37 4.69 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.8 m -105.32 -58.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -41.25 147.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -25.18 14.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.52 146.53 47.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.62 144.28 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.574 1.171 . . . . 1.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -76.4 0.99 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 0.799 . . . . 1.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.26 11.57 29.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.7 OUTLIER -101.2 146.89 26.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 1.0 109.973 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 46' ' ' CYS . 64.8 tp -88.52 -23.54 23.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 2.8 t80 -81.32 -40.53 23.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.857 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 67.6 t80 -73.64 10.58 1.04 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.903 -0.57 . . . . 1.0 109.812 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.966 HG11 ' CE1' ' A' ' 52' ' ' HIS . 1.4 m -126.6 31.14 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.511 HG13 ' SG ' ' A' ' 79' ' ' CYS . 20.1 t -153.71 -48.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.535 ' HA ' HD12 ' A' ' 80' ' ' LEU . 24.1 m80 -86.26 -39.1 16.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.771 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -38.83 109.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -3.57 34.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.32 -160.92 13.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 1.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 137.09 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 1.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD22 HBA2 ' A' ' 251' ' ' HEM . 1.0 OUTLIER -137.79 -168.27 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -85.61 -18.5 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 32.3 m80 -138.29 -173.26 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 1.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m -94.17 135.49 35.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.52 176.83 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.55 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 4.1 m -78.81 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 108.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 98' ' ' THR . 4.9 mt -53.94 -18.94 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' CD ' ' A' ' 85' ' ' LYS . . . -73.74 -48.84 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.624 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 42.1 t -91.32 35.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 8.7 m170 -128.08 -65.54 0.9 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.726 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.535 ' O ' HG22 ' A' ' 87' ' ' VAL . 42.9 t -57.48 -15.86 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 110.032 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 mptt -91.29 -36.77 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.48 -43.2 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 84' ' ' SER . 18.5 m -54.4 -25.22 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -40.6 -33.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.89 -43.67 7.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.78 23.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.99 10.0 2.81 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.282 3.321 . . . . 1.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -9.07 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.19 0.6 19.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -53.7 -19.2 3.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 43.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.02 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.973 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -95.86 23.25 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -160.74 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.28 124.01 0.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.984 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.7 m -73.42 -46.45 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.51 135.0 51.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 1.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 66.62 56.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -126.58 164.31 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 1.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 9.8 mmmt -53.29 -21.08 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.32 -72.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 108.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.24 113.75 46.11 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.781 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 C-N-CA 124.32 3.347 . . . . 1.0 109.577 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.447 HBC1 ' CHC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.549 HBA2 HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.973 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.464 ' O2D' HD23 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.68 170.54 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.342 3.362 . . . . 1.0 109.607 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 125.56 34.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 1.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.0 p -47.58 122.77 8.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 67.3 Cg_exo -55.29 137.01 76.03 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.323 3.348 . . . . 1.0 109.594 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.38 32.58 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' PRO . 2.8 tmtt? -149.28 117.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' LYS . 12.5 Cg_exo -33.01 112.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.873 HG11 ' CGA' ' A' ' 233' ' ' HEM . 29.1 m -93.28 151.84 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.5 mm-40 -103.31 131.63 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 11' ' ' VAL . 77.8 t -102.37 73.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -52.65 151.8 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.21 -138.8 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -52.06 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -161.54 26.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.01 161.22 36.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.4 m -134.11 128.91 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 1.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.98 118.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -71.52 148.85 46.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 1.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 9' ' ' VAL . 35.1 t80 -138.37 111.16 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 67.1 Cg_endo -81.89 132.66 7.58 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.355 3.37 . . . . 1.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.446 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 2.3 m80 -85.04 -36.05 21.49 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.116 0.885 . . . . 1.0 109.782 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.25 -71.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 62.6 Cg_exo -37.79 -36.52 0.44 Allowed 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.33 3.353 . . . . 1.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -102.41 49.62 0.84 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.11 0.881 . . . . 1.0 109.8 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.7 mt-10 -92.06 -26.19 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -39.6 29.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.03 129.26 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.57 ' O ' HMC1 ' A' ' 233' ' ' HEM . 3.3 mt-10 -59.04 170.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -87.53 -33.36 18.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -23.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 1.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -65.6 -46.44 79.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 9.3 m -94.85 -56.03 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -77.86 63.61 2.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 6.3 p80 -52.85 147.89 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.14 0.9 . . . . 1.0 109.734 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.04 147.06 45.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.345 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 38' ' ' ASP . 18.4 t -70.29 -124.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG12 ' A' ' 37' ' ' VAL . 36.1 p30 -98.59 28.98 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.71 52.75 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 1.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 116.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 0.799 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.5 tt0 -48.9 141.39 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.63 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.88 163.39 38.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.1 m-85 -154.79 43.96 0.5 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.825 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.33 -178.5 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -62.83 166.4 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.758 ' O ' HD13 ' A' ' 64' ' ' LEU . 60.8 m -92.22 22.63 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.81 58.51 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 1.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 m -103.88 147.15 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 1.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.3 m -36.76 128.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.74 -35.93 4.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -94.35 -145.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.841 ' CE1' HG11 ' A' ' 67' ' ' VAL . 23.2 m-70 -65.47 61.42 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.765 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -72.56 -41.2 66.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 41.7 t0 -67.21 125.92 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 5.43 12.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 -56.82 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -40.67 141.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -91.41 -37.71 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.71 148.21 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.51 145.87 6.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.54 0.67 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 1.0 110.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -105.61 7.79 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -101.57 141.01 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 46' ' ' CYS . 66.7 tp -82.55 -26.29 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 33.8 t80 -74.97 -40.5 60.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.856 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 25.2 t80 -66.17 -5.48 10.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.92 -0.562 . . . . 1.0 109.824 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.841 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.5 m -118.43 40.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' VAL . 53.5 t -159.84 -47.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.0 m80 -104.29 22.89 14.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.755 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.54 100.43 10.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HG3' HD23 ' A' ' 80' ' ' LEU . 11.5 ttp85 -92.63 -15.88 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.69 -158.13 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 1.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.61 135.28 33.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.767 . . . . 1.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -140.56 -171.77 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.03 -8.96 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 26.7 m80 -139.6 177.3 8.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 1.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -90.05 129.37 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 172.61 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.87 -64.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.539 HD23 ' HG3' ' A' ' 71' ' ' ARG . 7.0 tt -54.47 -21.16 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.88 -52.04 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' HE1' HBC1 ' A' ' 305' ' ' HEM . 43.2 m170 -45.64 -51.6 11.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.762 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.5 t -53.47 -54.98 29.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.014 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 mttt -59.63 -33.59 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.81 -62.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' SER . 35.9 m -52.54 -20.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.1 -36.5 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.28 -37.62 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.24 93.19 47.94 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.88 12.6 2.39 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.314 3.343 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -97.36 -8.71 28.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.4 mt -109.98 -1.01 17.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.38 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -86.25 11.97 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.15 -43.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.828 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -103.23 49.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 163.58 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 110.427 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.28 129.41 32.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 1.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 34.4 m -77.54 -50.06 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.02 134.11 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mttp 66.82 54.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 p -123.12 164.02 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 8.6 mmmt -54.98 -22.34 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 16.5 m -93.77 -71.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.81 113.8 40.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.873 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.617 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.828 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.437 HBC1 ' HE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.051 0.929 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ALA . 52.3 Cg_exo -46.71 174.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.309 3.339 . . . . 1.0 109.551 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.01 124.4 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.0 p -46.16 128.11 7.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.73 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 50.6 Cg_exo -57.86 135.41 68.84 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.319 3.346 . . . . 1.0 109.616 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.58 22.84 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' CD ' ' HD2' ' A' ' 8' ' ' PRO . 1.3 tptt -138.67 121.7 10.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 7' ' ' LYS . 23.2 Cg_exo -33.9 111.12 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.315 3.343 . . . . 1.0 109.599 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 20' ' ' PHE . 5.3 m -90.29 140.83 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -93.51 128.64 39.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.25 67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -43.14 140.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.95 -146.2 5.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 1.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.77 39.89 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 1.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -168.73 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 -168.92 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 m -122.69 140.87 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.0 116.25 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.23 148.64 41.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.3 t80 -139.0 117.53 9.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 63.7 Cg_endo -83.52 135.84 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.281 3.32 . . . . 1.0 109.614 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -86.89 -37.81 17.33 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.779 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.76 -71.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.3 Cg_exo -38.43 -32.7 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.386 3.391 . . . . 1.0 109.521 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' CE1' ' NA ' ' A' ' 282' ' ' HEM . 75.3 m80 -103.85 52.8 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.153 0.908 . . . . 1.0 109.802 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.75 39.86 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 110.243 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.88 -46.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.639 ' CG1' HG21 ' A' ' 32' ' ' THR . 17.7 t -76.84 124.79 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.08 156.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.0 m -74.84 -27.01 60.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.38 -27.56 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.639 HG21 ' CG1' ' A' ' 28' ' ' VAL . 22.2 m -60.96 -51.58 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 4.6 m -86.47 -53.81 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 108.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.3 m-70 -84.16 85.48 7.35 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.775 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.8 p80 -67.02 157.75 32.69 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.149 0.906 . . . . 1.0 109.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.99 149.05 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -110.37 103.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 109.331 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 59.25 54.09 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.347 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.58 29.17 47.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 158.64 40.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.62 134.77 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -146.22 163.55 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.991 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.1 m-85 -159.22 33.85 0.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.82 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.43 -178.45 6.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.693 ' O ' HMC1 ' A' ' 251' ' ' HEM . 6.8 mttp -60.75 145.98 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.416 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 71.0 m -66.35 -36.23 82.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -108.47 56.2 0.48 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.6 m -91.94 141.81 28.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 1.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.5 m -37.62 123.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.1 -36.61 4.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.8 m -89.17 -142.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.406 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 40.2 m-70 -65.1 59.26 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.004 -0.998 . . . . 1.0 109.799 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -72.64 -51.09 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.806 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 14.8 t70 -54.17 128.6 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -121.26 8.35 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.806 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -45.79 126.02 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 1.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 165.8 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.21 139.64 5.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 1.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HB2' ' CAD' ' A' ' 251' ' ' HEM . 12.1 pt-20 -75.67 -0.68 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 1.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -113.13 7.75 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -98.6 136.02 39.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.96 -22.73 49.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 48.8 t80 -78.49 -41.97 31.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.835 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.627 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.7 t80 -54.82 -16.46 2.64 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.799 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.928 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.84 55.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 67' ' ' VAL . 13.1 t -163.37 -48.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 68' ' ' VAL . 6.5 m80 -111.73 23.85 13.4 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.008 -0.997 . . . . 1.0 109.753 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -96.54 108.44 21.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.605 ' HB3' HD12 ' A' ' 80' ' ' LEU . 11.1 ptt180 -102.93 -1.04 30.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.6 -158.84 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 137.25 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -140.76 -170.68 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -81.92 -16.31 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 50.4 m-70 -138.96 -169.52 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.584 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.85 127.91 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.469 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 8.4 m -86.97 171.21 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.8 m -73.33 -58.22 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 1.0 108.237 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 71' ' ' ARG . 1.8 tm? -53.86 -22.05 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.51 -62.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 49.4 t -55.25 -62.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 108.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 87' ' ' VAL . 52.4 m170 -37.77 -51.67 1.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.767 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.81 -51.57 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 1.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 11.0 mttt -66.24 -30.96 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.0 t -64.91 -63.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 83' ' ' HIS . 30.6 m -53.68 -20.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.85 -35.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -95.1 -41.16 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.32 94.98 33.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.92 11.85 2.64 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.331 3.354 . . . . 1.0 109.606 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.69 -10.55 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASP . 47.7 mt -106.09 -4.9 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -50.65 -28.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 30.29 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -152.07 -45.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.077 HD11 ' CHA' ' A' ' 282' ' ' HEM . 1.1 mm? -101.92 50.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 164.7 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.91 133.47 36.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 1.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 40.9 m -80.66 -51.56 8.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.98 134.98 50.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 1.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? 66.65 48.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.7 p -118.58 164.65 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.472 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 14.8 mmmt -57.66 -24.01 54.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.15 -63.54 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 108.345 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.82 109.96 46.85 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 C-N-CA 124.255 3.303 . . . . 1.0 109.629 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.453 HBC1 ' CHC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.693 HMC1 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 1.077 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.856 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.097 0.951 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.2 Cg_endo -49.61 171.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.323 3.348 . . . . 1.0 109.633 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.73 133.14 35.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.296 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.85 123.38 71.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.701 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 51.3 Cg_exo -57.0 136.23 75.49 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.34 3.36 . . . . 1.0 109.631 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 29.56 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -145.27 116.48 5.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -34.35 103.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.286 3.324 . . . . 1.0 109.627 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.04 HG11 ' CGA' ' A' ' 233' ' ' HEM . 15.5 m -89.47 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 1.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.6 pt-20 -92.7 131.16 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 11' ' ' VAL . 94.4 t -97.02 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 1.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 15.7 mmtt -39.89 142.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 1.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 -129.88 2.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 1.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.4 p -69.22 -56.37 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 1.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -160.19 31.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -143.56 146.09 33.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 10' ' ' GLU . 24.2 m -117.11 134.39 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.16 108.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 1.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 19' ' ' MET . 2.8 ptp -64.13 140.61 58.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -131.61 118.43 16.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.4 Cg_endo -87.96 132.01 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.283 3.322 . . . . 1.0 109.626 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.701 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.7 m80 -84.3 -37.47 21.62 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.145 0.903 . . . . 1.0 109.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.03 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.18 -69.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.03 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 57.7 Cg_exo -40.44 -31.42 0.61 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.302 3.334 . . . . 1.0 109.628 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 29.9 m80 -112.82 50.1 0.9 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.137 0.898 . . . . 1.0 109.761 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -111.96 38.48 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 1.0 110.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -45.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.633 HG11 HG21 ' A' ' 32' ' ' THR . 18.5 t -70.91 124.28 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -38.27 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -72.65 -26.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 1.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.93 -22.54 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.633 HG21 HG11 ' A' ' 28' ' ' VAL . 63.1 m -64.35 -48.56 75.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.8 m -93.98 -55.33 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -78.61 74.89 5.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.751 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.575 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 4.0 p80 -61.46 156.14 20.08 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.21 0.944 . . . . 1.0 109.735 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.1 145.49 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.55 126.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 55.02 27.69 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.97 43.32 82.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.21 148.49 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.91 138.79 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 1.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.89 163.17 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 1.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.8 m-85 -154.88 31.87 0.4 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.871 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.45 -179.58 7.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -59.14 162.08 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.48 ' O ' HD13 ' A' ' 64' ' ' LEU . 62.3 m -91.93 23.99 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.46 59.25 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 1.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.7 OUTLIER -104.08 149.58 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 1.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 50.5 m -36.69 126.28 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 1.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . 99.06 -36.15 4.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.44 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.4 m -94.1 -148.26 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.319 -0.993 . . . . 1.0 108.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CE1' HG11 ' A' ' 67' ' ' VAL . 16.9 m-70 -66.42 58.5 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.755 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -87.4 -8.3 56.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.03 111.05 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.63 16.65 20.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -55.96 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.15 161.93 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -41.2 4.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -109.65 150.41 28.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.74 153.7 8.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 3.22 15.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 1.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.49 -5.55 26.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -92.34 142.86 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -84.88 -28.93 25.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -71.85 -42.87 66.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.819 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 42.3 t80 -65.24 -7.48 13.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.894 -0.574 . . . . 1.0 109.815 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.2 m -115.85 47.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.5 t -160.48 -50.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 3.1 m80 -98.94 4.87 47.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.795 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -73.43 95.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.17 -14.54 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.81 -156.93 1.09 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 1.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -90.44 134.54 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.943 HD22 ' O2A' ' A' ' 251' ' ' HEM . 1.7 mt -139.68 -167.68 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -92.76 -34.52 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.575 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 30.3 m170 -115.92 -172.53 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 m -98.32 125.05 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 50.8 m -89.35 169.4 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.44 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -66.62 -66.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 1.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.0 mt -46.11 -23.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.83 -50.91 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.602 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 40.0 t -94.22 30.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 108.258 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 87' ' ' VAL . 2.9 m170 -129.31 -50.06 1.19 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.742 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -72.99 -24.75 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 32.1 mttt -88.96 -35.09 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.11 -46.81 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 83' ' ' HIS . 24.7 m -58.96 -21.76 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.9 -36.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 -38.15 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -124.57 85.15 56.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.84 8.86 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.299 3.333 . . . . 1.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -5.02 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 1.0 110.334 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 97' ' ' LEU . 79.4 mt -113.26 -3.45 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HA ' HG11 ' A' ' 87' ' ' VAL . 3.6 tttm -47.53 -54.05 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 1.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -25.16 11.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.775 ' C ' HD22 ' A' ' 97' ' ' LEU . 2.0 m-20 -95.07 -37.21 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.044 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.6 OUTLIER -114.41 55.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 1.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.01 -27.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.395 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.08 127.7 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.8 m -75.92 -47.63 24.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.39 135.83 49.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt 68.42 53.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 1.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 p -125.67 163.55 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -59.91 -16.82 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 74.0 m -92.14 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.21 111.32 49.71 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.773 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.312 3.341 . . . . 1.0 109.589 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 1.04 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.943 ' O2A' HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 1.044 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.093 0.949 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.2 171.81 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.297 3.331 . . . . 1.0 109.596 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.87 118.02 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -40.16 121.33 1.6 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.614 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 75.6 Cg_exo -53.52 139.38 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.298 3.332 . . . . 1.0 109.637 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.64 -77.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.26 133.18 61.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.22 141.74 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.288 3.325 . . . . 1.0 109.625 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.858 HG11 ' CGA' ' A' ' 233' ' ' HEM . 15.0 m -111.64 141.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 4.4 mm-40 -91.93 129.84 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.797 HG22 ' O1D' ' A' ' 233' ' ' HEM . 92.7 t -102.67 68.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -47.82 147.23 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.51 -134.5 3.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.9 p -72.76 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 1.0 109.966 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -148.72 32.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -154.74 155.85 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.1 m -125.88 132.21 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.52 115.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 29.1 t80 -142.21 110.9 5.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 45.2 Cg_endo -83.19 128.49 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.343 3.362 . . . . 1.0 109.629 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.1 m80 -82.36 -40.16 21.75 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.195 0.934 . . . . 1.0 109.806 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.48 -69.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 79.0 Cg_exo -34.15 -42.09 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.364 3.376 . . . . 1.0 109.538 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.5 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 71.1 m80 -95.44 50.58 1.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 124.117 0.886 . . . . 1.0 109.766 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.7 pt-20 -107.24 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -143.01 -47.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 9.1 t -60.29 143.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CG ' ' OG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -45.0 171.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -100.6 22.38 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 1.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.43 -40.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.462 ' OG1' ' CG ' ' A' ' 29' ' ' GLU . 2.4 m -42.03 -48.67 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -86.77 -56.6 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 108.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -86.52 76.49 9.58 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.727 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 5.8 p80 -64.92 155.09 35.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.126 0.891 . . . . 1.0 109.769 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.1 mt -76.67 150.99 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 40' ' ' LYS . 3.0 t -111.43 97.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 1.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.55 49.89 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.85 35.34 82.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HE3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -135.4 127.55 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.12 140.5 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -151.61 162.91 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.7 m-85 -157.29 42.89 0.33 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.81 175.02 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.625 ' O ' HMC1 ' A' ' 251' ' ' HEM . 2.3 mttt -53.18 158.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.579 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.3 m -88.26 27.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 1.0 108.266 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.51 56.83 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 1.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.4 m -101.69 148.07 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 1.0 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -36.23 127.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 109.981 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.99 -36.51 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -90.66 -148.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 17.4 m-70 -66.18 59.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.735 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -70.76 -43.19 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 1.0 109.278 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.815 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 17.6 t70 -61.13 130.26 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 54' ' ' ASP . 2.6 mt -125.93 11.83 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -116.77 -58.17 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -42.7 149.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 66' ' ' TYR . 2.9 mttt -86.53 -72.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.25 152.04 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.27 140.39 4.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 1.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.23 -0.98 21.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 1.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -105.15 4.53 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.557 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -97.06 145.15 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 110.0 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 46' ' ' CYS . 56.3 tp -87.17 -31.29 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 45.3 t80 -68.42 -42.04 79.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.615 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 26.4 t80 -64.84 -4.01 3.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.881 -0.58 . . . . 1.0 109.784 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.1 m -109.06 19.42 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -139.87 -49.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 1.4 m80 -101.96 39.52 1.46 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -114.91 97.07 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -92.28 -8.68 44.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.7 -158.17 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.151 . . . . 1.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 136.53 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 mt -140.07 -170.11 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' N ' ' O2A' ' A' ' 251' ' ' HEM . 55.2 mmtt -89.92 -17.5 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 1.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 29.7 m80 -139.54 -172.5 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.661 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -94.26 136.82 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.45 173.0 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.502 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.5 m -75.96 -70.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.68 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -68.92 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 86' ' ' VAL . 39.3 t -53.37 -48.1 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.415 ' CE1' HD13 ' A' ' 97' ' ' LEU . 25.9 m170 -48.5 -50.94 29.7 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.739 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -45.32 71.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 1.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 12.8 mttp -68.81 -31.84 71.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 82' ' ' CYS . 34.8 t -64.8 -61.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.6 m -53.39 -21.14 3.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.5 -35.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.21 -36.53 12.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -121.41 93.26 48.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.04 11.48 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.346 . . . . 1.0 109.601 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -98.4 -6.13 31.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 1.0 110.353 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.8 mt -112.87 0.65 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -54.39 -29.88 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 11.64 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.3 m-20 -128.45 -44.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.8 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -104.06 49.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 162.74 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.432 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.3 129.67 28.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -78.84 -50.24 11.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.55 130.5 54.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 67.36 57.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.6 p -126.01 164.23 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 1.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.71 43.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.15 -70.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 108.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -87.62 112.7 50.3 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.858 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.625 HMC1 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.8 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.914 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 122.094 0.95 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ALA . 51.2 Cg_exo -48.0 176.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.275 3.317 . . . . 1.0 109.611 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' VAL . . . -83.97 118.94 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.362 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' ALA . 5.4 p -38.69 127.99 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.603 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.1 Cg_exo -56.82 135.12 68.83 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.346 3.364 . . . . 1.0 109.605 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -65.38 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 125.26 87.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -35.49 137.02 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.363 3.376 . . . . 1.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -112.83 138.32 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 147.24 26.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.7 t -113.6 60.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -46.11 139.58 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.27 -126.41 2.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 p -71.25 -57.96 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 1.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.88 30.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -139.71 145.8 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 1.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -119.26 124.91 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 1.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.62 121.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.42 153.92 40.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.614 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 46.6 t80 -143.78 95.19 5.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 1.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.48 122.5 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.31 3.34 . . . . 1.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 5.2 m80 -75.3 -23.21 57.32 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.135 0.897 . . . . 1.0 109.755 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.085 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.79 -67.69 0.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.085 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -43.4 -52.64 4.89 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.305 3.337 . . . . 1.0 109.621 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -85.8 54.03 2.98 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.209 0.943 . . . . 1.0 109.74 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.0 mt-10 -95.36 -27.43 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -84.99 -43.63 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.63 123.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.92 151.43 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -73.63 -29.92 62.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 108.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -25.13 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.0 m -63.29 -41.58 98.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 12.4 m -97.53 -56.37 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -79.96 61.75 3.95 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.752 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.427 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 5.8 p80 -42.73 164.98 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.101 0.876 . . . . 1.0 109.75 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.729 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.5 pp -113.13 133.33 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' GLY . 2.5 t -109.95 149.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 42.08 28.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 1.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 56.35 40.4 85.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.145 . . . . 1.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.0 mttm -128.63 84.62 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LYS . 27.5 tt0 -36.59 134.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.66 170.3 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' SER . 46.0 m-85 -153.95 48.91 0.64 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.812 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.82 177.82 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -55.82 161.57 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 55.8 m -93.5 25.12 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.22 57.77 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.2 m -103.44 145.86 29.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 0.777 . . . . 1.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.4 m -36.63 126.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 1.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.2 3.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -90.37 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.016 . . . . 1.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CE1' HG11 ' A' ' 67' ' ' VAL . 32.0 m-70 -65.71 60.61 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -81.73 -10.86 59.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' SER . 8.9 t0 -92.6 111.69 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -102.79 -37.02 8.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.5 m -63.88 -60.88 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.48 158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -65.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 1.3 mmtp -94.42 164.81 12.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.96 147.75 8.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 1.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.52 -5.33 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 1.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 8.43 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -97.02 137.63 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 1.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 46' ' ' CYS . 43.9 tp -82.29 -27.25 32.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.806 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 17.4 t80 -78.15 -42.98 30.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 36.1 t80 -59.72 -13.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.878 -0.582 . . . . 1.0 109.814 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 68' ' ' VAL . 30.9 m -115.84 48.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 67' ' ' VAL . 41.1 t -160.4 -50.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.806 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 50.6 m80 -91.57 -44.93 8.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.774 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -35.49 111.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.08 0.07 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.02 -158.66 13.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.47 -168.72 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -84.82 -24.79 28.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.427 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 25.8 m80 -130.42 -172.6 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.605 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.93 122.84 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -84.42 171.96 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.5 m -69.0 -73.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' CYS . 2.7 mp -40.42 -33.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.9 t -53.66 -61.36 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.754 ' O ' HG22 ' A' ' 87' ' ' VAL . 36.4 m170 -36.45 -49.49 0.73 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.751 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 t -55.87 -49.26 73.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 13.4 mttp -65.81 -32.83 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 88' ' ' ALA . 2.7 t -66.63 -66.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.3 m -50.41 -22.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.44 -36.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.66 -40.92 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.9 91.57 39.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.41 7.29 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.26 3.306 . . . . 1.0 109.642 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.85 -3.69 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 1.0 110.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 93' ' ' LEU . 11.3 mt -114.62 0.04 13.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.785 ' HA ' HG11 ' A' ' 87' ' ' VAL . 4.4 ttpt -58.05 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.04 -19.79 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.726 ' C ' HD23 ' A' ' 97' ' ' LEU . 7.9 m-20 -101.29 -42.27 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -105.79 53.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.92 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 110.444 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -53.33 128.23 38.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 47.5 m -76.95 -49.37 15.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.75 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 51.49 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 62.3 p -122.7 164.12 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 1.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.09 21.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.66 -72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -83.55 113.55 47.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 N--CA 1.448 -1.196 0 C-N-CA 124.276 3.317 . . . . 1.0 109.565 179.862 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.614 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.434 ' C3A' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.626 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.523 HBC1 ' HE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 122.102 0.953 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.3 Cg_endo -48.66 173.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.374 3.383 . . . . 1.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.85 136.9 33.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 1.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.5 p -60.81 122.79 71.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.652 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 53.8 Cg_exo -56.02 138.11 81.38 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.338 3.359 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.42 -67.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 22.6 pttt -56.63 125.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -36.33 123.62 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.36 3.374 . . . . 1.0 109.559 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.863 HG11 ' CGA' ' A' ' 233' ' ' HEM . 35.8 m -99.7 144.17 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.9 pt-20 -95.62 140.83 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 11' ' ' VAL . 81.1 t -107.27 64.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.24 144.64 3.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 -124.66 2.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 1.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -78.86 -50.9 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 1.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.26 27.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -137.41 154.52 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 20.5 m -128.49 128.06 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -129.18 122.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.62 150.91 41.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 46.1 t80 -141.9 93.23 7.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 8.2 Cg_exo -72.12 120.0 6.53 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 1.0 109.62 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 5.9 m80 -70.8 -25.46 62.87 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.178 0.924 . . . . 1.0 109.789 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.038 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -46.43 -67.05 0.42 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.038 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 52.6 Cg_exo -44.32 -41.21 13.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 1.0 109.585 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -99.78 54.18 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.132 0.895 . . . . 1.0 109.706 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.56 39.89 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -46.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.542 HG11 HG21 ' A' ' 32' ' ' THR . 17.5 t -69.73 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.62 156.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.4 m -75.81 -28.63 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.09 -24.18 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.542 HG21 HG11 ' A' ' 28' ' ' VAL . 26.4 m -62.55 -50.98 69.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 1.0 110.399 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -91.33 -54.6 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.0 108.276 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.7 m-70 -80.27 78.93 6.91 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.769 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.515 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 4.7 p80 -63.05 155.34 28.0 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.134 0.896 . . . . 1.0 109.77 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.4 mt -74.3 146.32 43.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -106.2 104.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.34 43.7 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 1.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 36.72 93.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -142.78 124.45 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -52.1 139.75 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -150.16 160.72 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 1.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 48.9 m-85 -156.44 45.94 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.83 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.64 174.62 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.63 159.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 64' ' ' LEU . 57.0 m -94.86 24.23 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 1.0 108.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.17 57.91 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.572 1.17 . . . . 1.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.69 152.99 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 1.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -42.79 124.74 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.14 -36.52 4.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 1.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -92.01 -146.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 33.4 m-70 -65.77 60.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -69.24 -38.15 78.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.314 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 31.2 t0 -72.97 124.96 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.35 4.96 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -103.3 -54.17 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 1.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -45.4 151.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -32.01 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.63 146.17 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 1.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.7 144.32 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 1.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.31 -1.95 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 1.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.75 7.08 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -99.36 147.6 25.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.157 . . . . 1.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 46' ' ' CYS . 53.2 tp -91.51 -24.82 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 49.7 t80 -76.21 -39.85 53.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.796 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 31.4 t80 -67.58 -1.86 5.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.956 -0.545 . . . . 1.0 109.832 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.5 m -114.37 17.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.21 -49.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 1.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 1.8 m80 -102.4 38.48 1.68 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.756 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -109.29 99.56 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -8.15 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 1.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.21 -159.28 10.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 1.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.02 136.46 33.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 1.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 70' ' ' ALA . 2.7 mt -141.05 -169.13 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -22.86 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.515 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.9 m80 -134.85 -174.15 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.3 m -96.22 128.97 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 69.9 m -91.63 169.05 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.436 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -67.86 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 1.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -49.05 -22.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -74.56 -49.39 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.586 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 35.9 t -92.49 30.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.495 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.5 m170 -130.34 -51.88 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.047 -0.979 . . . . 1.0 109.769 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 87' ' ' VAL . 52.9 p -69.39 -27.28 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 mttt -89.37 -30.67 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -61.05 -40.95 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 1.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.4 m -63.97 -20.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.66 -38.02 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.34 -26.92 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.93 84.1 54.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.5 8.84 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.309 3.34 . . . . 1.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -5.43 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 1.0 110.334 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.79 1.29 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -56.37 -18.16 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -109.42 37.62 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -155.84 -44.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.934 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -99.41 24.04 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -162.23 -43.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -36.61 127.59 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 1.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.41 -43.55 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.22 135.29 54.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.11 51.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 10.1 p -121.28 165.15 15.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 1.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -20.69 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.427 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m -96.12 -71.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 1.0 108.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.5 111.36 41.09 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.777 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 47.0 Cg_exo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.282 3.321 . . . . 1.0 109.614 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.863 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.416 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.934 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.923 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.055 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.26 169.47 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 124.243 3.295 . . . . 1.0 109.64 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.91 131.7 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -63.18 122.35 74.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.558 ' HD3' ' CHB' ' A' ' 233' ' ' HEM . 74.6 Cg_exo -53.97 138.72 70.22 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.322 3.348 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 -60.45 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 138.72 80.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.55 139.02 7.42 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.305 3.337 . . . . 1.0 109.59 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -108.73 139.06 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 1.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -82.14 126.9 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 11' ' ' VAL . 97.9 t -96.88 57.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -43.88 140.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.73 -129.7 2.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 1.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 p -71.54 -58.9 3.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 1.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.33 35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -147.22 149.1 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -123.34 127.45 48.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.79 106.59 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptt? -63.54 138.63 58.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.74 122.08 16.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -87.61 140.1 5.1 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.347 3.365 . . . . 1.0 109.586 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -89.39 -39.52 13.35 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.141 0.901 . . . . 1.0 109.739 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.59 -71.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 77.3 Cg_exo -37.49 -34.01 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.346 3.364 . . . . 1.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 73.6 m80 -104.05 49.73 0.81 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.141 0.901 . . . . 1.0 109.751 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 5.1 tt0 -111.04 42.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.238 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 32' ' ' THR . 3.8 t -60.62 134.78 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' VAL . 5.8 mt-10 -39.24 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.73 10.46 20.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.84 -5.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.3 m -73.66 -44.42 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -93.88 -59.27 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 108.342 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -78.95 81.17 5.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.786 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 11.6 p80 -71.48 149.8 45.48 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.154 0.909 . . . . 1.0 109.766 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.85 152.52 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 HBC2 ' A' ' 251' ' ' HEM . 2.1 t -108.4 101.27 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t0 58.18 43.25 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.91 88.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 1.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -138.06 118.74 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 1.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -44.92 134.34 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -153.79 160.73 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 110.037 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 42' ' ' SER . 34.7 m-85 -155.07 30.26 0.4 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.845 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.93 -177.32 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' O ' HMC1 ' A' ' 251' ' ' HEM . 0.1 OUTLIER -66.12 144.32 56.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 85.2 m -61.49 -32.83 72.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.47 57.62 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 1.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.5 m -93.89 139.86 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 1.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . 8.2 t -37.97 119.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.44 -32.05 7.32 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -97.47 -142.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.611 ' CE1' HG11 ' A' ' 67' ' ' VAL . 43.4 m-70 -64.4 62.05 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.79 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -68.56 -50.27 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 122.9 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -116.01 7.49 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -107.97 -60.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.02 146.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -28.9 12.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 140.68 47.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.4 141.78 5.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -1.41 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 1.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.65 7.78 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -99.61 141.36 32.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 1.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.444 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 68.2 tp -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 36.8 t80 -78.59 -41.7 31.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.653 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 22.3 t80 -66.03 -7.59 18.21 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.951 -0.547 . . . . 1.0 109.829 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 52' ' ' HIS . 10.7 m -111.87 35.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG23 ' C ' ' A' ' 67' ' ' VAL . 91.9 t -156.87 -47.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.504 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.8 m80 -101.08 26.96 6.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -97.94 108.77 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -92.28 -32.66 14.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -56.57 -160.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.44 1.087 . . . . 1.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 tt0 -100.99 142.14 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 1.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB1' ' A' ' 70' ' ' ALA . 2.0 mt -143.41 -171.81 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -26.01 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -131.93 -167.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 109.612 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.56 124.29 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 1.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -74.5 176.3 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 110.014 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.3 m -76.65 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 80' ' ' LEU . 9.8 tt -56.93 -22.39 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.55 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.95 -57.4 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.0 108.265 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.496 ' CD2' HD12 ' A' ' 97' ' ' LEU . 62.7 m170 -39.62 -51.21 2.27 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.788 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -52.89 43.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mtpt -64.04 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.74 -59.01 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.57 -19.11 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.6 -40.58 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.28 -43.51 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 89' ' ' GLU . 2.1 mmmt -117.17 95.26 46.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.65 15.56 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.325 3.35 . . . . 1.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.69 -7.55 25.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.552 ' HB3' HD23 ' A' ' 97' ' ' LEU . 61.2 mt -109.02 -1.06 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -54.26 -27.57 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.7 15.3 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' LEU . 79.6 m-20 -134.65 -44.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.019 HD11 ' CHA' ' A' ' 282' ' ' HEM . 3.6 mm? -96.21 30.59 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.4 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.39 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.36 130.75 0.92 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.442 1.089 . . . . 1.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.4 m -81.34 -45.54 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.67 131.53 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.1 mttt 67.1 51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 12.9 p -119.65 163.24 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 1.0 110.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 14.7 mmmt -55.27 -22.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.44 -74.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.92 112.19 43.4 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.447 -1.24 0 C-N-CA 124.301 3.334 . . . . 1.0 109.631 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.558 ' CHB' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.641 HBC2 HG21 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 1.019 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.853 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -51.14 172.27 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.351 3.368 . . . . 1.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.11 117.9 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.0 109.311 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.2 p -40.1 127.38 1.66 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.492 ' HD3' ' CHB' ' A' ' 233' ' ' HEM . 50.2 Cg_exo -58.12 145.18 93.45 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.331 . . . . 1.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -69.71 135.12 88.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.28 149.19 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 1.0 109.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.05 143.88 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.0 pt-20 -88.45 137.94 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.6 t -104.49 59.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 143.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.4 -123.46 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 p -74.71 -55.58 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 1.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.84 24.31 0.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -132.68 157.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 10' ' ' GLU . 3.9 m -135.08 108.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 1.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 118.61 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmt -70.43 149.85 46.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -140.87 118.41 7.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.8 Cg_endo -86.25 128.68 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.284 3.323 . . . . 1.0 109.583 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.62 -33.9 25.21 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.14 0.9 . . . . 1.0 109.751 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.78 -71.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 60.5 Cg_exo -38.19 -31.66 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -104.07 51.07 0.78 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.159 0.912 . . . . 1.0 109.748 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -110.87 40.22 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.35 -46.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.3 t -60.29 143.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' VAL . 6.4 mt-10 -46.1 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 t -102.01 10.04 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 108.319 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -3.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.0 m -72.59 -45.78 57.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 1.0 110.386 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 13.0 m -94.53 -58.44 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.7 73.52 3.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.784 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 7.2 p80 -58.57 154.4 14.33 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.221 0.951 . . . . 1.0 109.75 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.01 151.0 31.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.7 t -114.6 97.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 58.7 51.61 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.48 42.29 75.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 1.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.28 111.19 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 1.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.9 tt0 -53.25 140.36 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.06 164.3 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 42' ' ' SER . 50.0 m-85 -155.5 30.96 0.38 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.798 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.15 177.11 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' O ' HMC1 ' A' ' 251' ' ' HEM . 5.7 mttm -59.29 141.51 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 75.2 m -61.36 -32.02 71.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 1.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -113.67 57.86 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 1.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.9 m -94.38 143.69 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' SER . 53.4 p -38.39 125.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.28 -38.95 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 1.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.3 m -89.84 -142.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' HG11 ' A' ' 67' ' ' VAL . 38.7 m-70 -65.38 59.16 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.781 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.35 -49.38 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 38.9 t0 -61.64 120.77 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -116.24 3.27 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ALA . 92.3 m -102.65 -58.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -39.22 157.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -94.26 -58.83 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -102.43 156.66 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.28 139.88 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -4.8 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 1.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -109.34 9.9 25.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.43 138.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.953 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 ' O1D' ' A' ' 305' ' ' HEM . 49.4 tp -80.54 -35.59 34.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.69 -43.53 93.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.816 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.557 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 18.7 t80 -61.82 -15.96 46.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' O1A' ' A' ' 251' ' ' HEM . 16.2 m -112.81 43.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 69' ' ' HIS . 39.6 t -152.03 -49.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.628 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -110.17 40.97 1.83 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.779 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.713 ' HB3' ' OG ' ' A' ' 78' ' ' SER . . . -108.2 114.87 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -106.73 1.79 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.5 -162.2 34.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 13.2 pt-20 -97.56 137.01 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -140.94 -167.45 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -79.26 -23.61 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 78.0 m-70 -137.1 -177.91 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -80.96 129.51 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.713 ' OG ' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -69.36 179.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.977 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 68' ' ' VAL . 40.8 t -83.12 -62.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.661 HD11 ' HA ' ' A' ' 98' ' ' THR . 5.3 tp -66.44 -8.91 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.06 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.598 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 14.9 t -93.03 34.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 1.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 1.016 ' CE1' HD13 ' A' ' 97' ' ' LEU . 1.6 m-70 -141.13 -43.79 0.38 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.5 t -73.54 -19.25 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 1.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.7 mttp -99.62 -38.31 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.67 -38.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 94' ' ' LYS . 17.2 m -65.89 -23.69 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.48 -32.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 1.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -122.88 85.8 50.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.08 5.51 2.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.302 3.335 . . . . 1.0 109.591 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 -4.24 38.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.462 HD13 ' CGD' ' A' ' 282' ' ' HEM . 21.6 mt -112.45 -1.04 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HA ' HG11 ' A' ' 87' ' ' VAL . 11.8 tttm -54.93 -30.56 58.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.98 36.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -155.86 -43.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 1.016 HD13 ' CE1' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -102.69 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.661 ' HA ' HD11 ' A' ' 80' ' ' LEU . 0.9 OUTLIER 165.09 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -47.26 131.0 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.556 1.16 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.3 -51.26 11.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 132.39 53.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 mttm 65.49 58.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 30.3 p -126.34 165.2 19.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 9.3 mmmt -58.19 -16.98 15.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 56.6 m -96.4 -73.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.94 113.71 47.47 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.704 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.269 3.313 . . . . 1.0 109.593 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.492 ' CHB' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.612 ' O1A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.793 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.452 ' O1D' HD23 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.99 178.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.91 117.63 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -39.85 127.74 1.55 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.7 Cg_exo -56.39 138.08 82.61 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.322 3.348 . . . . 1.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.03 16.83 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 122.37 15.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -37.68 117.63 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.76 141.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -92.49 130.64 38.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.81 67.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -51.6 139.03 21.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.35 -130.66 3.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 1.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -69.5 -55.46 10.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 1.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -160.11 26.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -136.46 152.01 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -124.54 133.59 53.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.5 108.47 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -66.82 139.73 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 48.6 t80 -128.83 120.19 20.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.633 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -88.74 134.08 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.592 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -84.65 -38.41 19.87 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.124 0.89 . . . . 1.0 109.759 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.021 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.79 -68.86 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 1.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.021 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.0 Cg_exo -41.47 -33.13 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.316 3.344 . . . . 1.0 109.597 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.711 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 67.8 m80 -107.56 50.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.067 0.854 . . . . 1.0 109.8 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 3.7 tm-20 -112.45 42.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.329 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -143.01 -45.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 1.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.612 ' CG1' HG21 ' A' ' 32' ' ' THR . 45.3 t -58.59 136.8 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 3.4 mt-10 -38.6 158.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.9 11.36 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 1.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.13 -2.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 ' CG1' ' A' ' 28' ' ' VAL . 1.3 m -76.83 -45.16 29.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.85 -60.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 1.0 108.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.12 74.29 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.724 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.657 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 2.5 p80 -61.68 148.15 43.61 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.156 0.91 . . . . 1.0 109.808 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.23 150.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -111.68 95.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.65 51.02 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.37 94.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.87 119.14 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 1.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -50.31 138.14 17.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.35 161.5 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.5 m-85 -157.88 37.85 0.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.828 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.54 173.18 9.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.644 ' O ' HMC1 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -56.63 153.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.548 ' O ' HD13 ' A' ' 64' ' ' LEU . 23.3 m -83.84 32.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -170.51 55.74 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -102.6 145.47 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 1.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -38.68 121.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -40.08 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.1 m -87.78 -143.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 28.2 m-70 -66.07 58.41 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.807 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -68.8 -44.6 73.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.9 t0 -65.27 121.63 15.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.65 0.84 14.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.102 . . . . 1.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.1 m -97.82 -58.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.49 152.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.34 -41.47 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 147.22 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.22 141.07 4.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 1.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -72.09 -5.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 1.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -106.78 8.04 30.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.421 ' O ' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -100.12 141.97 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 1.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 46' ' ' CYS . 54.2 tp -82.39 -28.73 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.09 -40.79 74.76 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -59.88 -12.35 7.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.921 -0.561 . . . . 1.0 109.821 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -119.88 54.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 1.01 ' O ' HD23 ' A' ' 80' ' ' LEU . 5.2 t -165.36 -47.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.666 ' CE1' HG12 ' A' ' 68' ' ' VAL . 8.6 m80 -112.89 29.38 8.02 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.755 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -102.8 113.39 26.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -107.0 4.43 27.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 1.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.57 -158.03 31.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 136.22 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 1.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -139.99 -168.38 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -83.68 -20.92 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.657 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 29.3 m170 -130.54 -171.9 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 126.19 48.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 1.5 m -89.5 170.41 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.27 -67.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mm? -46.0 -31.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -65.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 45.4 t -53.85 -65.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 87' ' ' VAL . 63.6 m170 -34.32 -53.77 0.51 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.785 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -50.44 62.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.692 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 91.2 mttt -66.02 -31.21 71.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.58 -63.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 83' ' ' HIS . 19.3 m -52.98 -20.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -46.06 -30.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.26 -34.47 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.52 85.91 48.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 4.54 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.341 3.361 . . . . 1.0 109.609 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -10.94 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.48 -3.21 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.1 OUTLIER -55.24 -18.71 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 28.67 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.07 -44.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.843 ' O ' HG23 ' A' ' 98' ' ' THR . 0.2 OUTLIER -92.82 18.56 8.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -165.36 -41.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -29.3 128.33 0.1 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 1.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -77.91 -45.09 25.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.38 139.6 49.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.83 45.99 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -114.55 166.01 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 0.6 OUTLIER -57.21 -18.79 17.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.2 m -96.07 -67.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 108.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -94.2 108.96 39.51 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.757 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 42.6 Cg_exo . . . . . 0 N--CA 1.447 -1.247 0 C-N-CA 124.326 3.351 . . . . 1.0 109.583 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.711 HBC2 ' HB3' ' A' ' 25' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.644 HMC1 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.715 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.909 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 122.041 0.924 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HG2' HMB1 ' A' ' 233' ' ' HEM . 56.9 Cg_endo -70.35 171.94 14.16 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.272 3.315 . . . . 1.0 109.582 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.62 126.6 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.12 121.96 59.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.678 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.4 Cg_exo -58.98 136.98 77.11 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.365 3.377 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.14 -61.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.16 119.89 68.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -35.97 136.65 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.582 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.35 139.67 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 129.84 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 1.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.28 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -42.35 131.43 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.14 -140.73 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 1.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -56.61 -29.9 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 1.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -172.06 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 164.73 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -134.95 118.55 16.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.2 112.29 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' MET . 8.7 ptm -69.55 143.54 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 1.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.682 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 61.2 t80 -130.49 117.29 17.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.1 Cg_endo -88.34 133.53 2.8 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.303 3.335 . . . . 1.0 109.598 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.678 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.8 m80 -86.29 -38.47 17.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.107 0.879 . . . . 1.0 109.782 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.62 -70.8 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.4 Cg_exo -37.68 -31.28 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.328 3.352 . . . . 1.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.421 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 71.6 m80 -105.32 50.72 0.77 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.165 0.916 . . . . 1.0 109.726 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.6 tt0 -107.95 43.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.54 -46.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.656 ' CG1' HG21 ' A' ' 32' ' ' THR . 39.9 t -72.21 123.28 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -39.38 155.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.3 m -74.76 -29.42 61.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.3 -31.82 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.656 HG21 ' CG1' ' A' ' 28' ' ' VAL . 39.4 m -54.05 -50.1 67.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.479 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 3.9 m -89.12 -51.02 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.8 m-70 -87.55 71.99 9.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.813 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 2.4 p80 -52.81 172.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.107 0.879 . . . . 1.0 109.801 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.474 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.1 pp -118.55 136.46 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.8 t -113.62 136.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 45.86 39.3 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 53.47 30.61 41.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -120.4 84.36 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -37.76 136.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -138.31 165.36 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 109.966 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 31.3 m-85 -154.89 32.76 0.4 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.04 173.84 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.52 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -44.14 159.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.675 ' O ' HD13 ' A' ' 64' ' ' LEU . 69.4 m -93.28 21.8 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.331 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.03 59.35 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -99.7 163.75 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 1.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.8 p -49.54 122.92 6.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -35.31 4.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.6 m -90.77 -149.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CE1' HG11 ' A' ' 67' ' ' VAL . 14.7 m-70 -65.62 60.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.761 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -75.2 -51.01 14.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' A' ' 57' ' ' ALA . 5.3 t70 -46.7 128.1 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 11.2 mt -119.5 10.44 11.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -59.26 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.497 ' HB3' ' CG ' ' A' ' 54' ' ' ASP . . . -44.93 137.32 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -34.53 14.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -111.44 143.02 42.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.41 146.95 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.86 3.43 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 1.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' HA ' ' A' ' 52' ' ' HIS . 9.0 mtpt -106.76 7.42 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.03 141.86 34.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 46' ' ' CYS . 62.8 tp -82.64 -12.56 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -85.8 -43.13 13.58 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.837 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.714 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.6 t80 -60.76 -12.63 11.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -112.1 46.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 67' ' ' VAL . 16.9 t -160.77 -48.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.8 m80 -107.89 29.38 7.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.77 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -98.5 97.97 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -94.88 -9.02 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.4 -157.34 8.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 1.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.29 138.75 31.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 70' ' ' ALA . 5.4 mt -143.09 -171.63 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -18.01 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.3 m80 -135.53 -175.93 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 1.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m -93.51 131.93 38.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 170.45 9.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -74.15 -71.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 108.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 1.4 tp -47.2 -23.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -70.06 -67.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.4 t -49.14 -57.81 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 108.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.655 ' HE1' HBC1 ' A' ' 305' ' ' HEM . 61.7 m170 -39.91 -38.88 0.75 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -63.46 -58.44 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.743 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 88' ' ' ALA . 36.2 t -64.89 -65.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.806 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.8 m -47.34 -24.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.96 -33.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -92.58 -36.09 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' VAL . 1.8 mtmm -124.25 85.58 55.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.37 3.67 3.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.277 3.318 . . . . 1.0 109.577 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -2.77 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.8 mt -116.14 2.23 13.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.806 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.4 OUTLIER -62.85 -37.11 85.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -10.64 49.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 6.3 m-20 -112.53 -33.33 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.794 HD11 HBD1 ' A' ' 282' ' ' HEM . 0.1 OUTLIER -108.21 49.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.37 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.427 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.72 131.27 31.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.5 -51.14 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.87 132.83 53.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.3 mttp 67.99 52.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 51.7 p -123.04 164.4 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.441 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 1.6 mmmm -55.43 -31.5 61.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -95.76 109.19 44.86 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.76 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.448 -1.182 0 C-N-CA 124.3 3.333 . . . . 1.0 109.615 179.852 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.682 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.618 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.794 HBD1 HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.655 HBC1 ' HE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 122.114 0.959 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 43' ' ' TYR . 12.2 Cg_endo -51.52 171.79 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.314 3.342 . . . . 1.0 109.567 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.19 124.1 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.517 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 p -58.87 129.68 85.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.803 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 61.7 Cg_exo -56.05 137.34 78.94 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.339 3.359 . . . . 1.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -70.34 126.77 92.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -35.57 139.1 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.304 3.336 . . . . 1.0 109.567 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.11 140.83 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.3 mm-40 -84.18 142.36 30.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 11' ' ' VAL . 69.6 t -111.45 52.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -39.71 145.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.13 -126.63 2.23 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.1 p -69.09 -57.18 5.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.766 . . . . 1.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.9 25.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 1.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.13 145.17 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 10' ' ' GLU . 17.6 m -122.14 113.84 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 105' ' ' CYS . 16.5 t -117.05 119.65 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -74.65 150.94 39.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -134.48 118.26 13.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 37.8 Cg_endo -88.83 130.05 2.15 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.28 3.32 . . . . 1.0 109.625 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.803 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 4.5 m80 -84.05 -29.74 26.62 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.121 0.888 . . . . 1.0 109.789 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.2 -64.41 1.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 95.2 Cg_exo -41.51 -53.14 3.36 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -89.95 52.53 2.31 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.128 0.892 . . . . 1.0 109.76 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -30.96 18.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' NZ ' ' O1D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -81.44 -39.13 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.84 124.66 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -55.17 161.61 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.4 m -82.64 -29.47 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.23 -23.55 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.5 m -66.84 -44.77 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.5 m -94.64 -56.4 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.2 m-70 -79.99 69.8 6.44 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.697 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 8.1 p80 -56.04 143.06 33.92 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.123 0.889 . . . . 1.0 109.783 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.35 150.19 46.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -108.51 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 54.87 46.45 24.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.31 35.54 88.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 1.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 138.17 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 1.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 42' ' ' SER . 8.0 tt0 -59.87 140.73 56.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -156.04 171.6 19.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 1.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.6 m-85 -155.09 -72.65 0.12 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.798 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 33.8 -148.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.1 OUTLIER -107.06 170.06 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 59.5 m -89.99 22.48 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.9 59.27 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.1 m -104.42 145.68 29.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 1.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 74.7 p -37.58 125.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 1.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -39.52 2.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 1.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -91.33 -143.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.714 ' CE1' HG11 ' A' ' 67' ' ' VAL . 28.8 m-70 -65.19 61.06 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.75 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -75.43 -41.87 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 13.7 t0 -63.89 116.32 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 3.5 mt -105.88 -34.36 7.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.5 m -63.94 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 1.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -41.91 157.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -71.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -83.45 169.7 15.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.33 141.95 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 1.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.74 -6.92 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -110.55 14.14 22.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -103.58 142.14 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.53 -31.97 32.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -69.13 -44.44 72.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.1 t80 -59.46 -18.42 39.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.862 -0.59 . . . . 1.0 109.809 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 68' ' ' VAL . 27.7 m -110.41 48.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 67' ' ' VAL . 18.4 t -161.32 -49.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.9 m80 -109.2 35.14 3.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.727 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -107.83 103.47 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -93.48 -8.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.15 -159.83 9.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -94.42 137.16 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 1.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.623 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.1 mt -140.78 -171.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -79.7 -26.45 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.566 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 31.5 m80 -128.49 -172.2 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.575 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -98.18 125.88 43.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.396 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -83.75 170.81 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.534 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -74.58 -68.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 108.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 68' ' ' VAL . 1.9 mp -46.36 -32.48 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.2 -66.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 t -53.7 -49.07 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 1.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 86' ' ' VAL . 44.6 m170 -49.26 -59.8 3.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.781 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -46.27 -38.12 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -73.99 -32.68 63.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.6 t -64.77 -59.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 1.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.9 m -53.87 -21.94 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.98 -33.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.74 -42.56 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' VAL . 10.4 mmmt -112.98 93.39 24.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.83 8.47 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 1.0 109.572 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -3.64 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.279 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.06 4.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.832 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -61.93 -27.61 68.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -90.79 16.34 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.42 -44.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.612 ' CD2' ' CHA' ' A' ' 282' ' ' HEM . 36.1 mt -78.55 -40.71 34.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 94' ' ' LYS . 30.9 p -118.05 -17.76 9.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -35.74 128.52 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 1.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.3 m -84.73 -51.37 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.58 134.11 50.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.4 49.14 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 3.9 p -114.33 165.83 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 8.9 mmmt -57.84 -19.85 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -94.95 -72.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 1.0 108.327 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 97.5 m-70 -85.38 110.4 28.87 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 19.2 Cg_exo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.557 ' C3A' ' HG3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.573 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.677 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.788 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 122.087 0.946 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.56 171.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.293 3.329 . . . . 1.0 109.622 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.33 126.79 32.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -54.47 129.23 61.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.639 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 50.6 Cg_exo -57.15 149.74 61.52 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.338 3.359 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.54 -73.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 125.43 59.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -35.28 118.67 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.776 HG11 ' CGA' ' A' ' 233' ' ' HEM . 29.8 m -92.01 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -102.54 144.37 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.823 HG22 ' O1D' ' A' ' 233' ' ' HEM . 76.7 t -112.03 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -43.46 144.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.02 -128.18 2.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 1.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 p -71.89 -55.94 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 1.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.32 26.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -135.4 157.13 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -129.13 125.62 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 121.22 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 mmt -75.45 151.28 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 26.5 t80 -138.75 115.26 8.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 40.6 Cg_endo -83.48 131.79 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.315 3.343 . . . . 1.0 109.627 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.9 m80 -87.83 -38.11 15.97 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.077 0.861 . . . . 1.0 109.747 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.53 -65.56 0.6 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 82.7 Cg_exo -38.46 -50.62 2.3 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.316 3.344 . . . . 1.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.501 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 53.9 m80 -89.02 50.94 2.04 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.178 0.924 . . . . 1.0 109.795 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -89.21 -28.43 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -39.99 28.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 77.1 t -52.71 129.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 7.4 mt-10 -45.88 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.92 -0.57 36.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 1.0 108.209 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.91 0.43 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.3 m -78.72 -43.66 25.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 1.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.24 -61.19 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 108.362 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.57 74.26 1.47 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.795 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.437 ' CG ' ' CE1' ' A' ' 76' ' ' HIS . 13.8 p80 -67.1 134.79 52.51 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.19 0.931 . . . . 1.0 109.773 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.6 mt -47.4 146.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.2 t -98.73 87.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 63.28 43.5 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.7 31.64 70.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 1.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -138.21 120.69 16.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 1.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.68 134.97 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -152.25 164.99 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.0 110.007 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 70.4 m-85 -158.19 35.04 0.24 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.878 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.04 175.77 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 161.73 6.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.629 ' O ' HD13 ' A' ' 64' ' ' LEU . 42.4 m -87.76 29.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 1.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.44 55.9 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 1.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -101.84 145.57 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 1.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' SER . 59.9 p -37.94 124.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.26 -37.54 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 1.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -90.76 -145.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.002 . . . . 1.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.872 ' CE1' HG11 ' A' ' 67' ' ' VAL . 34.4 m-70 -65.35 59.56 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.723 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -70.52 -41.45 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 14.1 t0 -68.66 119.77 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 1.04 13.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.6 m -100.42 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.05 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -83.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.84 168.28 20.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.42 137.59 5.55 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -5.61 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 1.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.62 6.92 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -97.25 140.48 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.947 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 46' ' ' CYS . 55.2 tp -83.99 -22.44 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -77.2 -41.62 40.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.846 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.612 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.4 t80 -67.8 -4.28 12.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.932 -0.556 . . . . 1.0 109.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.872 HG11 ' CE1' ' A' ' 52' ' ' HIS . 6.0 m -116.07 29.06 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.6 t -143.84 -50.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HA ' HD22 ' A' ' 80' ' ' LEU . 3.5 m80 -104.05 28.71 6.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.786 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.55 90.93 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -88.16 -17.15 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.2 -156.87 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 1.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.44 135.41 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.871 HD22 ' O1A' ' A' ' 251' ' ' HEM . 3.9 mt -143.31 -170.22 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -91.35 -23.33 20.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.437 ' CE1' ' CG ' ' A' ' 35' ' ' HIS . 32.3 m80 -127.53 -169.51 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.63 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 m -103.71 121.41 42.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 49.4 m -85.03 168.53 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 1.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -67.59 -67.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 108.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 68' ' ' VAL . 6.2 mp -44.98 -25.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -69.92 -50.98 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.584 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 37.3 t -93.61 31.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 2.4 m170 -131.67 -51.47 0.99 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.735 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.4 ' HA ' HG21 ' A' ' 98' ' ' THR . 22.3 p -67.84 -25.29 65.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.024 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mptp? -90.76 -33.33 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.71 -44.14 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 94' ' ' LYS . 27.4 m -60.26 -22.47 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.34 -34.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.78 -41.85 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -122.48 86.14 48.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.91 1.94 4.07 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.341 3.361 . . . . 1.0 109.62 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -3.75 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 1.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.58 0.63 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 1.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -55.38 -25.74 37.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.444 ' CE ' ' O ' ' A' ' 101' ' ' ALA . 10.4 tptm -99.71 38.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 1.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.38 -50.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.531 HD11 ' C4D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -78.2 -37.6 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.237 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -111.29 -49.47 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 1.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -19.72 128.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 1.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 9.5 m -83.1 -53.49 5.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.444 ' O ' ' CE ' ' A' ' 95' ' ' LYS . . . -95.41 137.91 33.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.75 57.64 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.7 p -124.71 165.4 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 1.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 13.1 mmmt -58.92 -28.92 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -77.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 94.7 m-70 -82.03 141.69 47.27 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.739 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.308 3.339 . . . . 1.0 109.581 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.823 ' O1D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.871 ' O1A' HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.63 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.84 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 9.7 Cg_endo -48.77 168.22 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.293 3.329 . . . . 1.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 132.99 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -62.36 125.99 86.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PRO . . . . . 0.524 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 72.8 Cg_exo -53.23 138.68 63.95 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.302 3.334 . . . . 1.0 109.613 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.8 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -67.72 131.46 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.3 140.71 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.248 3.298 . . . . 1.0 109.566 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.46 141.44 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 17' ' ' THR . 3.0 mm-40 -90.42 135.2 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.635 HG22 ' O1D' ' A' ' 233' ' ' HEM . 94.8 t -102.89 63.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -40.68 143.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.81 -123.4 2.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 1.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -85.85 -54.9 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 1.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.78 36.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -155.52 160.78 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.587 HG23 ' HB3' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -131.04 121.87 25.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 110.411 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.69 115.05 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -64.67 148.98 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 27.1 t80 -138.43 109.46 8.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.619 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 Cg_endo -81.34 124.54 4.81 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.309 3.34 . . . . 1.0 109.576 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -79.27 -37.97 36.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.129 0.893 . . . . 1.0 109.744 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.2 -69.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 1.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.967 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.4 Cg_exo -33.99 -39.37 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.251 3.301 . . . . 1.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.487 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 53.7 m80 -100.31 54.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.131 0.894 . . . . 1.0 109.758 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.4 mm-40 -91.71 -33.36 15.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 1.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.0 -31.47 44.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' GLU . 63.8 t -59.89 128.27 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -46.45 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 1.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.75 -2.94 29.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.313 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.01 -2.6 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -77.27 -39.31 48.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 16.7 m -99.07 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.57 76.26 3.27 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.722 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 9.7 p80 -61.96 148.2 44.51 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.19 0.931 . . . . 1.0 109.808 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -66.09 150.98 47.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.24 103.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 55.05 45.89 25.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.04 32.06 82.91 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 1.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 133.11 36.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.21 134.27 56.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.12 163.04 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 55.1 m-85 -159.2 37.68 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.809 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.4 178.79 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' O ' HMC1 ' A' ' 251' ' ' HEM . 28.1 mttt -62.61 144.18 56.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 57.6 m -64.0 -34.86 78.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.29 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -106.39 54.76 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 1.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' SER . 12.2 m -93.21 144.29 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 1.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -38.18 123.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 109.971 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.67 3.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.4 m -85.48 -144.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.998 . . . . 1.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 31.9 m-70 -65.39 58.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.781 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -69.26 -46.52 67.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.4 t0 -66.56 119.7 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 1.16 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 m -99.32 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 1.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.542 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.29 150.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.25 167.3 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.33 6.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 1.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' HB2' ' CAD' ' A' ' 251' ' ' HEM . 0.4 OUTLIER -71.32 -7.59 48.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 110.324 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 15.43 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -107.25 133.89 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 tp -77.59 -21.18 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -78.03 -40.7 37.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 12.4 t80 -61.15 -11.19 8.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -124.47 57.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 67' ' ' VAL . 5.2 t -163.39 -48.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.683 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.6 m80 -111.97 25.22 11.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.773 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -93.02 118.63 31.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -110.29 6.95 22.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.53 -155.43 31.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.162 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.17 139.57 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 1.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.9 -169.53 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' CG ' ' O2A' ' A' ' 251' ' ' HEM . 21.7 mmtt -80.36 -18.9 47.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 26.9 m80 -143.29 -171.93 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -96.49 129.99 43.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.85 170.98 10.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.493 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.1 m -69.88 -67.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 1.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -46.98 -23.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.38 -50.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' CYS . . . . . 0.629 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 42.5 t -92.59 36.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.602 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.1 m170 -133.7 -64.16 0.72 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.752 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -55.44 -19.63 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.994 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -96.29 -38.86 9.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 19.9 t -51.57 -38.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 94' ' ' LYS . 15.5 m -63.93 -22.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.02 -39.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.25 -25.47 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.805 ' HD3' HD12 ' A' ' 93' ' ' LEU . 13.5 ptpt -126.79 85.99 59.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.23 8.79 3.08 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.244 3.296 . . . . 1.0 109.609 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 0.24 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.805 HD12 ' HD3' ' A' ' 90' ' ' LYS . 88.6 mt -122.74 7.1 9.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.925 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -58.03 -31.93 67.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.88 19.06 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-20 -130.57 -43.4 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.877 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -106.57 51.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.26 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -52.08 132.54 37.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.53 -52.32 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.04 131.77 52.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 66.54 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.5 p -127.05 164.34 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 1.6 mmmm -56.03 -27.68 54.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.9 m -85.71 -68.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -88.28 112.45 49.75 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.303 3.335 . . . . 1.0 109.59 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 233' ' ' HEM . . . . . 0.635 ' O1D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 251' ' ' HEM . . . . . 0.663 ' CHB' HG21 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 282' ' ' HEM . . . . . 0.877 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 305' ' ' HEM . . . . . 0.403 HMC3 ' HA ' ' A' ' 98' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 122.063 0.935 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.76 174.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.366 3.377 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.85 134.66 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.6 p -52.51 124.18 32.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.698 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.2 Cg_exo -56.36 138.91 85.54 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.253 3.302 . . . . 1.0 109.632 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 -65.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.267 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.21 130.13 93.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.65 140.87 2.63 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.84 140.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' HG21 ' A' ' 17' ' ' THR . 2.3 mm-40 -83.96 136.68 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' ' 11' ' ' VAL . 95.9 t -107.92 56.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -41.56 140.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.79 -125.17 2.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 1.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -70.47 -57.58 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 1.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.36 25.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -134.14 157.22 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.415 HG21 ' OE1' ' A' ' 10' ' ' GLU . 21.9 m -127.52 114.02 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 1.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.41 108.17 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -68.61 140.4 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -128.71 120.68 20.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.7 Cg_endo -86.64 135.84 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.332 3.355 . . . . 1.0 109.632 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.3 m80 -88.21 -37.33 16.2 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.161 0.913 . . . . 1.0 109.735 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.34 -69.85 0.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.7 Cg_exo -38.97 -41.08 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 49.6 m80 -100.68 43.13 1.07 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.146 0.904 . . . . 1.0 109.775 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.89 -27.12 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -83.24 -37.52 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.97 126.26 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.81 151.13 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.7 m -74.89 -28.05 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 108.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -67.41 -23.38 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 m -65.41 -44.75 86.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.21 -56.91 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.08 72.71 5.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.721 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 17.2 p80 -61.2 145.32 51.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.156 0.91 . . . . 1.0 109.756 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.82 149.25 31.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 1.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -107.38 115.0 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 49.71 37.58 13.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.73 34.17 77.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 1.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 147.6 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.35 135.6 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.618 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -148.04 166.06 28.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' SER . 69.5 m-85 -160.68 34.35 0.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.843 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.0 178.1 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.093 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.5 mttt -61.66 144.71 54.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.08 -31.87 71.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -115.23 58.72 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m -90.74 143.78 26.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 1.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -39.1 114.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 1.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.79 -41.76 2.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.2 m -85.89 -142.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 67' ' ' VAL . 41.6 m-70 -66.22 58.83 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.73 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.13 -44.67 52.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 109.268 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 42.3 t0 -61.54 119.27 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.94 0.67 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 1.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.5 m -98.41 -60.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -47.68 146.88 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -67.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.37 153.75 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.14 142.8 5.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 1.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -75.85 -1.54 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.58 9.99 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -100.89 126.17 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 1.0 110.044 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.14 -16.0 63.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -83.4 -43.33 16.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.528 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 9.6 t80 -61.25 -16.32 44.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.893 -0.575 . . . . 1.0 109.839 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -109.82 46.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 67' ' ' VAL . 12.3 t -161.79 -49.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.529 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -108.34 36.48 2.8 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.738 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -112.92 95.42 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.58 -15.42 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 -157.97 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 1.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -85.81 136.05 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 1.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' OG ' ' A' ' 78' ' ' SER . 5.9 mt -143.6 -171.2 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -93.21 -28.37 16.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 57.7 m-70 -122.23 -171.99 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -99.05 125.15 44.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -85.5 165.23 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.0 110.0 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -71.24 -65.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 108.347 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.8 mm? -48.61 -29.84 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.7 t -47.16 -61.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.709 ' O ' HG22 ' A' ' 87' ' ' VAL . 40.3 m170 -37.76 -52.53 1.28 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.772 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -53.12 -46.32 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.003 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -68.79 -33.97 74.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.9 -63.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 83' ' ' HIS . 17.0 m -52.47 -20.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.3 -34.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.15 -35.51 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.93 85.74 50.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.07 6.66 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.305 3.337 . . . . 1.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -5.95 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 93' ' ' LEU . 28.6 mt -109.98 -0.55 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -56.24 -28.4 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 4.26 14.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.666 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.4 m-20 -126.51 -43.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -103.99 50.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 161.99 -27.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.07 129.13 31.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.87 -50.21 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 134.52 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.29 56.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.5 p -124.72 164.32 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -19.13 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -70.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -88.0 112.53 49.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.751 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.283 3.322 . . . . 1.0 109.57 179.87 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 122.085 0.945 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.0 168.9 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.323 3.348 . . . . 1.0 109.591 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.74 135.55 33.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.3 p -57.36 122.35 54.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 1.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 75.4 Cg_exo -52.52 137.04 57.82 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.315 3.343 . . . . 1.0 109.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 139.6 86.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -43.0 144.9 1.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.295 3.33 . . . . 1.0 109.616 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.29 142.99 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 4.1 pt-20 -86.33 132.82 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 110.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 11' ' ' VAL . 59.8 t -104.77 64.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -47.06 142.62 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 1.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.67 -110.8 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.31 -48.83 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 1.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -154.33 29.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -149.43 151.71 34.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 9.9 m -125.43 120.22 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 t -115.1 116.28 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -70.0 150.05 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -137.86 117.84 10.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.528 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 35.2 Cg_endo -83.8 124.41 3.47 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.297 3.331 . . . . 1.0 109.588 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -81.2 -36.98 29.4 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.14 0.9 . . . . 1.0 109.747 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.031 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.47 -67.79 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.031 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.3 Cg_exo -39.73 -43.44 3.2 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.343 3.362 . . . . 1.0 109.598 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -96.1 45.02 1.07 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.151 0.907 . . . . 1.0 109.763 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.9 tm-20 -89.3 -26.39 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -83.33 -43.49 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.448 HG13 HG21 ' A' ' 32' ' ' THR . 79.8 t -48.96 127.53 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE1' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -42.29 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 1.2 t -89.65 -24.86 21.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 1.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG12 ' OE1' ' A' ' 29' ' ' GLU . 9.9 p -90.42 1.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.448 HG21 HG13 ' A' ' 28' ' ' VAL . 42.2 m -77.66 -44.74 27.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.4 m -97.71 -58.72 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 108.267 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.89 67.98 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.747 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.599 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.6 p80 -56.71 152.39 12.33 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.164 0.915 . . . . 1.0 109.762 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.35 147.9 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.3 t -106.07 98.26 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.84 35.61 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.16 33.02 65.17 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 1.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 120.42 15.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -46.55 136.8 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.11 165.14 33.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 1.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.1 m-85 -160.86 33.88 0.15 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.925 -1.034 . . . . 1.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.44 -177.73 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.21 138.21 58.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 72.3 m -55.85 -32.39 63.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 1.0 108.34 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.83 57.45 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 1.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 16.2 m -91.1 144.07 26.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 1.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 49.4 m -38.1 119.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.37 -42.38 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 1.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.2 m -84.27 -143.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.888 ' CE1' HG11 ' A' ' 67' ' ' VAL . 30.3 m-70 -65.71 57.62 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.777 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -72.1 -40.91 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 5.6 t70 -64.16 117.76 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.18 1.56 15.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -98.88 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 1.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -44.52 155.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -38.1 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -109.54 152.52 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.0 139.66 4.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 1.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.87 -6.49 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 1.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 12.6 26.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.92 138.47 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.04 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 tp -80.17 -28.94 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -72.65 -44.26 62.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.879 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.2 t80 -60.58 -15.93 32.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.939 -0.553 . . . . 1.0 109.848 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.888 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.6 m -107.65 40.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.506 ' O ' HD13 ' A' ' 80' ' ' LEU . 15.2 t -154.09 -50.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 1.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 68' ' ' VAL . 1.3 m80 -105.71 37.47 2.23 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.796 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.86 101.52 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -93.16 -6.72 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.11 -160.56 24.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.162 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.3 pm0 -94.82 138.37 32.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB1' ' A' ' 70' ' ' ALA . 1.4 mt -140.98 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -87.7 -24.14 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.599 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 51.0 m-70 -128.24 -173.02 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 1.0 109.542 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.33 126.93 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.0 m -87.08 171.34 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 1.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.437 ' C ' ' N ' ' A' ' 81' ' ' ALA . 1.0 OUTLIER -70.96 -72.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.1 mp -39.9 -31.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -63.12 -69.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -50.8 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.613 ' O ' HG22 ' A' ' 87' ' ' VAL . 32.3 m170 -36.1 -51.94 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.014 -0.993 . . . . 1.0 109.773 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.67 -49.8 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 1.0 109.998 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.7 mtpm? -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.8 t -73.43 -66.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 83' ' ' HIS . 29.6 m -50.56 -22.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.7 -35.98 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.77 -36.68 15.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -122.92 85.3 50.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.16 4.68 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.3 3.333 . . . . 1.0 109.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -9.4 49.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.2 mt -107.99 -1.16 20.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 1.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -54.84 -27.79 44.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 7.3 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 97' ' ' LEU . 75.1 m-20 -129.09 -44.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.566 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -101.33 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 165.15 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -48.42 130.89 20.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.5 m -79.82 -48.67 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.29 49.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt 65.8 48.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 13.9 p -117.54 166.12 12.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.98 -18.9 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.333 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 60.1 m -93.67 -70.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 93.7 m-70 -91.72 110.38 43.09 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.052 -0.976 . . . . 1.0 109.752 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 31.7 Cg_exo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 124.341 3.36 . . . . 1.0 109.549 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 122.094 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.6 Cg_endo -50.52 170.76 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.292 3.328 . . . . 1.0 109.615 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.42 34.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.328 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 p -55.52 127.51 66.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.732 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.6 Cg_exo -54.17 137.28 70.19 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.295 3.33 . . . . 1.0 109.61 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 -59.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 1.0 109.315 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 17.3 mmtt -75.61 140.99 72.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 75.2 Cg_exo -44.97 148.35 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.286 3.324 . . . . 1.0 109.621 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.05 140.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.311 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.9 mm-40 -84.08 143.31 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 11' ' ' VAL . 87.0 t -114.63 63.86 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 10.4 mmtt -40.44 141.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 -134.58 3.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -54.82 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 1.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.45 27.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -135.66 159.88 40.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.8 m -129.41 109.57 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.62 117.78 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mmm -71.0 148.57 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -139.57 114.63 8.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.593 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 59.9 Cg_endo -83.29 132.92 6.18 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.289 3.326 . . . . 1.0 109.586 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.732 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.4 m80 -85.1 -36.1 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.173 0.921 . . . . 1.0 109.735 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.989 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.24 -71.43 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.989 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 74.5 Cg_exo -36.47 -44.57 0.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.286 3.324 . . . . 1.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.2 m80 -95.64 47.22 1.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.12 0.887 . . . . 1.0 109.723 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -90.36 -27.38 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.33 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -36.35 35.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 32' ' ' THR . 81.9 t -69.53 117.33 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -47.97 165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 110.286 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -82.15 -30.91 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.66 -25.8 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.429 HG21 HG13 ' A' ' 28' ' ' VAL . 10.3 m -63.61 -42.67 98.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 110.441 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.31 -58.48 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 108.345 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.3 m-70 -77.12 71.09 3.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.729 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 12.2 p80 -59.1 143.27 49.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.086 0.866 . . . . 1.0 109.752 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.54 146.65 39.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 t -106.1 114.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.275 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.73 31.04 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 1.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.74 60.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 1.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -139.35 137.82 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 1.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.76 135.1 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -147.25 160.28 42.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.0 110.005 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 42' ' ' SER . 59.2 m-85 -159.17 33.16 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.818 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.88 178.72 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -62.14 134.58 56.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -51.24 -33.2 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 1.0 108.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -114.31 58.47 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 1.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.8 m -89.23 143.02 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 1.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' SER . 51.1 m -37.53 112.73 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.1 -45.71 1.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -81.9 -142.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.856 ' CE1' HG11 ' A' ' 67' ' ' VAL . 32.6 m-70 -66.41 57.33 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.746 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -77.58 -38.63 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.681 ' OD2' ' HB3' ' A' ' 57' ' ' ALA . 14.2 t70 -59.66 124.3 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 1.5 mt -120.21 8.96 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.55 -57.46 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 1.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.681 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -49.61 141.93 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -52.59 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.97 169.5 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 144.7 7.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -75.54 -3.51 34.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 1.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 8.17 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.62 139.24 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 58.6 tp -84.25 -17.45 39.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 21.4 t80 -83.49 -43.03 16.22 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.83 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 34.5 t80 -67.33 -4.46 10.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.952 -0.546 . . . . 1.0 109.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.856 HG11 ' CE1' ' A' ' 52' ' ' HIS . 11.0 m -113.85 35.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 94.4 t -158.11 -47.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.1 m80 -99.63 20.55 13.8 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.814 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -97.44 103.73 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.67 -8.86 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.86 -158.66 3.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.43 136.57 32.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 1.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 mt -142.02 -169.81 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.334 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -88.12 -35.61 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.505 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 87.3 m-70 -118.45 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -98.88 130.57 45.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.03 172.96 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 3.3 m -77.43 -67.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 108.288 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -22.4 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -65.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.6 t -50.56 -57.22 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 108.323 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 87' ' ' VAL . 54.7 m170 -39.12 -55.75 1.57 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.757 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -49.06 -50.07 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 1.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 14.5 mttt -63.43 -31.31 72.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 88' ' ' ALA . 75.0 t -72.5 -66.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 83' ' ' HIS . 33.1 m -49.9 -22.83 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.87 -34.56 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.52 -37.43 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.92 85.83 50.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.69 4.96 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.348 3.365 . . . . 1.0 109.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.34 -10.45 44.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.262 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.3 mt -106.9 -1.06 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 1.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -54.53 -30.33 53.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.68 4.99 12.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -127.31 -44.3 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 1.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.598 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -99.54 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 162.53 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -45.14 127.61 7.75 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.556 1.16 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.1 m -76.93 -48.46 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.94 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 63.33 53.28 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 8.5 p -119.48 166.25 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 1.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -16.24 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.14 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 108.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -79.29 114.07 41.82 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.77 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.446 -1.267 0 C-N-CA 124.321 3.347 . . . . 1.0 109.636 179.841 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.103 0.954 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.74 171.05 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.314 3.342 . . . . 1.0 109.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.04 136.72 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -59.14 123.3 68.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.7 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.2 Cg_exo -54.3 142.54 68.22 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.309 3.339 . . . . 1.0 109.593 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -67.25 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 127.42 92.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -36.82 141.36 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.322 3.348 . . . . 1.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.73 140.23 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.32 132.58 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.9 t -102.22 74.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -46.9 152.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.84 -136.71 3.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -88.86 -30.81 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.88 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.31 161.73 40.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -132.92 140.63 47.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -134.28 114.57 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 mmm -69.1 151.69 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -140.65 113.5 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 57.2 Cg_endo -83.5 131.72 5.64 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.345 3.363 . . . . 1.0 109.567 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.9 m80 -84.77 -35.74 22.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.102 0.876 . . . . 1.0 109.805 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.53 -71.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 53.6 Cg_exo -38.67 -40.2 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.331 3.354 . . . . 1.0 109.543 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.0 m80 -101.99 45.76 0.95 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.163 0.914 . . . . 1.0 109.81 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.91 -26.36 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.83 -38.72 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.1 116.41 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -44.17 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.0 110.243 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -88.72 -24.09 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 1.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -21.32 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 m -70.81 -35.21 72.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 1.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.3 m -103.6 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.76 71.0 6.39 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.762 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.6 p80 -56.96 156.6 6.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.133 0.895 . . . . 1.0 109.775 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.13 146.5 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -109.78 107.7 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 57.65 48.47 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.33 33.55 61.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -135.37 154.56 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 1.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.66 137.18 40.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 1.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.639 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.47 160.34 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 42' ' ' SER . 57.4 m-85 -157.67 42.21 0.31 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.775 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.8 176.14 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.75 165.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 63.7 m -91.47 19.26 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 108.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -162.55 61.09 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.1 m -104.89 147.9 27.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 70.9 m -37.19 128.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.54 -36.54 3.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASP . 1.8 m -94.67 -146.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.651 ' CE1' HG11 ' A' ' 67' ' ' VAL . 17.2 m-70 -64.89 62.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.749 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -72.11 -48.72 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 24.1 t0 -56.78 122.41 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -113.18 0.22 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.4 m -101.13 -60.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -43.64 142.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 150.93 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.03 147.34 6.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 1.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -82.16 9.85 7.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 1.0 110.313 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.54 15.19 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -107.96 131.47 54.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 46' ' ' CYS . 38.2 tp -70.92 -11.61 61.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -87.05 -40.86 14.31 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.839 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.72 -6.94 13.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.876 -0.583 . . . . 1.0 109.803 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 m -115.57 46.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.7 t -163.58 -48.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.57 ' HA ' HD22 ' A' ' 80' ' ' LEU . 1.1 m80 -109.82 36.7 2.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.768 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.87 95.06 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -14.98 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.93 -156.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 134.94 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 0.813 . . . . 1.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mt -143.2 -174.71 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -21.82 21.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 43.1 m-70 -126.08 -173.11 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -103.04 126.27 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 45.0 m -88.77 167.87 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.3 m -66.71 -65.4 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.5 mp -46.1 -23.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -72.0 -51.36 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 35.0 t -92.79 29.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 108.323 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.641 ' O ' HG13 ' A' ' 87' ' ' VAL . 3.7 m170 -128.63 -57.13 1.2 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 87' ' ' VAL . 78.3 p -67.65 -23.3 65.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 1.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.3 mtpp -91.26 -32.76 15.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.15 -43.7 98.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 83' ' ' HIS . 21.1 m -58.16 -23.22 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.55 -36.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 4.3 mt-10 -92.26 -43.47 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 1.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -112.97 90.2 15.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 89' ' ' GLU . 60.7 Cg_endo -77.74 9.68 2.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.265 3.31 . . . . 1.0 109.617 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -9.21 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 1.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HB3' HD23 ' A' ' 97' ' ' LEU . 85.7 mt -107.54 -1.71 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -47.23 -25.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.48 40.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.579 ' C ' HD22 ' A' ' 97' ' ' LEU . 10.5 m-20 -156.43 -42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.911 ' O ' HG23 ' A' ' 98' ' ' THR . 1.2 mm? -108.52 36.07 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -171.3 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.65 125.9 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 1.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.5 m -71.26 -43.86 66.39 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.27 141.4 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.82 46.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.5 p -120.98 164.57 16.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -57.17 -17.89 13.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 1.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 72.8 m -93.99 -63.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 1.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -101.18 106.45 45.14 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.795 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.5 Cg_exo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.323 3.349 . . . . 1.0 109.57 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.105 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.95 172.82 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.336 3.358 . . . . 1.0 109.585 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.83 121.06 30.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 p -40.08 123.22 1.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.2 Cg_exo -53.47 139.29 65.7 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.262 3.308 . . . . 1.0 109.589 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -74.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 138.04 91.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.86 144.81 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.349 . . . . 1.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.56 142.87 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -93.4 131.58 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t -104.37 68.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.57 141.55 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.05 -130.22 3.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 p -70.94 -58.1 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 1.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -151.92 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -135.86 147.05 48.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -126.24 111.39 14.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG11 ' SG ' ' A' ' 105' ' ' CYS . 77.4 t -110.33 120.91 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.93 153.04 38.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -141.88 119.38 7.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.613 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.0 Cg_endo -88.46 129.44 2.25 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 1.0 109.623 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -82.03 -32.99 30.22 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.164 0.915 . . . . 1.0 109.824 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.997 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.33 -72.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 84.1 Cg_exo -33.8 -39.47 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.312 3.341 . . . . 1.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -96.98 51.02 1.11 Allowed 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.113 0.883 . . . . 1.0 109.764 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.1 mt-10 -90.46 -29.0 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -80.78 -37.44 30.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 46.9 t -54.71 127.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -46.15 172.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.4 -0.82 34.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 1.0 108.357 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.61 -3.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -77.69 -39.08 45.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.1 m -96.92 -60.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 108.302 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.52 74.97 5.05 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.708 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 24.7 p80 -62.38 146.82 50.29 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 124.164 0.915 . . . . 1.0 109.763 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 40' ' ' LYS . 45.8 mt -69.91 152.3 44.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.41 126.27 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 1.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.46 35.9 15.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.38 91.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.574 ' O ' HD22 ' A' ' 36' ' ' LEU . 4.1 ptmt -129.74 177.67 7.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.97 137.44 40.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.69 164.5 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.991 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 61.7 m-85 -156.88 31.45 0.3 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.71 179.47 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -65.22 138.48 58.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.2 m -52.75 -32.87 45.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -111.8 57.63 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.7 m -94.13 144.03 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 1.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.8 m -37.63 123.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.0 109.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -32.33 7.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -93.03 -145.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.954 ' CE1' HG11 ' A' ' 67' ' ' VAL . 38.6 m-70 -64.51 61.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.91 -48.33 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 45.5 t0 -57.13 119.6 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.92 -1.15 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -96.74 -62.83 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -50.1 147.95 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -36.26 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 134.4 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.18 148.13 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 1.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.37 7.84 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -118.13 8.96 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.705 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -98.82 119.67 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.98 -15.65 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 31.5 t80 -84.82 -39.78 17.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.859 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.68 -0.43 5.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 118.904 -0.569 . . . . 1.0 109.803 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.954 HG11 ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.81 38.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.755 ' O ' HD13 ' A' ' 80' ' ' LEU . 51.9 t -160.09 -48.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HD22 ' A' ' 80' ' ' LEU . 2.1 m80 -105.28 35.46 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.781 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -114.22 93.79 4.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 1.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.01 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.99 -159.29 0.41 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 1.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 1.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' GLU . 10.9 mt -148.31 -171.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -26.44 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 51.4 m-70 -126.55 -169.4 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -105.05 127.35 52.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.59 171.19 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -69.37 -66.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 68' ' ' VAL . 8.3 mp -47.21 -23.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.37 -51.01 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 48.9 t -93.63 34.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 108.262 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.706 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.2 m170 -132.91 -45.61 0.86 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.766 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -73.88 -16.68 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.995 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 40.6 mttt -94.03 -35.14 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.96 -40.68 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.556 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.9 m -64.32 -19.57 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.3 -40.86 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.73 -21.69 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 1.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HE3' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -132.43 87.75 41.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.95 9.74 3.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.321 3.347 . . . . 1.0 109.62 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.07 -2.13 35.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.581 HD12 ' HE3' ' A' ' 90' ' ' LYS . 18.6 mt -116.14 1.0 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -89.47 16.81 7.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' HD23 ' A' ' 97' ' ' LEU . 9.1 m-20 -131.44 -44.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.706 HD13 ' CE1' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -107.06 49.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.7 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -49.18 130.69 24.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 1.0 108.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.98 130.72 55.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 68.09 55.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 28.5 p -123.87 165.68 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -58.36 -18.05 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.449 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -97.77 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 108.312 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -93.03 110.33 45.27 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 50.3 Cg_exo . . . . . 0 N--CA 1.447 -1.258 0 C-N-CA 124.303 3.335 . . . . 1.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 122.056 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.73 171.89 1.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.302 3.335 . . . . 1.0 109.593 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.0 116.43 18.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.318 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 p -47.32 122.15 7.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.733 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.4 Cg_exo -54.08 138.02 70.39 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.273 3.315 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.66 -65.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.51 128.47 93.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -38.89 141.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.296 3.331 . . . . 1.0 109.612 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.99 138.48 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.306 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 147.48 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 11' ' ' VAL . 99.1 t -116.31 59.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -43.61 143.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.11 -129.84 2.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 p -69.67 -57.37 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 1.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 27.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -136.49 150.13 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -125.58 112.88 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.16 118.8 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 mmt -73.92 153.72 39.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.9 t80 -140.93 114.94 7.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.663 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 38.2 Cg_endo -86.4 135.67 4.46 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.272 3.315 . . . . 1.0 109.621 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.733 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 3.6 m80 -86.04 -37.13 19.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.138 0.899 . . . . 1.0 109.773 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.66 -68.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 73.4 Cg_exo -39.86 -36.58 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.33 3.353 . . . . 1.0 109.606 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -104.0 42.25 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 O-C-N 124.157 0.911 . . . . 1.0 109.76 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 tp10 -100.59 42.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -46.15 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 32' ' ' THR . 3.1 t -72.11 140.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.42 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 3.6 m -97.82 24.18 7.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.18 -20.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 1.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.689 HG21 HG11 ' A' ' 28' ' ' VAL . 20.9 m -66.89 -41.24 87.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 30' ' ' CYS . 98.4 m-70 -76.19 71.22 2.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.732 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.4 p80 -59.66 146.3 41.64 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.112 0.883 . . . . 1.0 109.755 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 149.51 39.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -112.02 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t70 67.43 40.38 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.45 31.66 81.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -135.56 149.03 49.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 1.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.11 140.84 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -155.0 163.03 40.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 1.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 67.1 m-85 -159.06 35.17 0.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.829 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 179.95 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.03 165.0 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 65.3 m -92.82 22.09 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 59.4 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.2 m -102.03 148.62 25.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 1.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 92.3 p -37.64 124.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.87 -38.93 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.1 m -90.99 -145.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.807 ' CE1' HG11 ' A' ' 67' ' ' VAL . 19.2 m-70 -66.03 60.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -81.41 -32.62 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 9.6 t70 -66.14 124.1 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.89 8.61 10.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -52.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -63.44 154.05 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.9 -35.23 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -104.6 149.7 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.86 147.64 7.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.27 1.58 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 1.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -110.37 7.13 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -99.45 133.62 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 1.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.94 -14.56 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -85.7 -41.5 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.975 -1.012 . . . . 1.0 109.846 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -65.66 -5.24 7.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.907 -0.568 . . . . 1.0 109.846 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' A' ' 52' ' ' HIS . 10.1 m -120.28 39.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.807 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.5 t -153.71 -50.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -107.71 39.68 1.87 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -108.03 105.2 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -98.28 -8.76 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.08 -157.99 8.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 1.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mt -142.03 -170.23 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -89.64 -26.35 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 65.1 m-70 -124.01 -170.88 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -101.1 123.78 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -83.71 164.8 19.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -68.66 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 108.266 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 68' ' ' VAL . 4.6 mp -49.08 -29.41 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -62.44 -67.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -52.51 -54.05 37.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 87' ' ' VAL . 37.2 m170 -44.06 -56.93 3.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.766 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -48.88 -51.03 32.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 110.023 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -64.67 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.36 -62.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.6 m -53.22 -20.77 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.15 -38.39 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.99 -37.53 18.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 91.78 49.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.81 8.5 3.4 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.313 3.342 . . . . 1.0 109.604 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.1 -5.95 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.8 mt -111.06 -0.86 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.1 ttmt -57.06 -32.22 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -7.39 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.661 ' C ' HD23 ' A' ' 97' ' ' LEU . 11.9 m-20 -115.61 -42.17 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.43 47.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.45 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 1.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -46.46 128.14 10.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -77.89 -47.27 19.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.17 52.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.0 42.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.0 p -113.84 166.37 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.9 mmmt -59.14 -23.54 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.459 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -90.02 -59.71 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -102.27 104.3 36.22 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 32.5 Cg_exo . . . . . 0 N--CA 1.447 -1.243 0 C-N-CA 124.323 3.349 . . . . 1.0 109.617 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 122.064 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 11.4 Cg_endo -50.79 169.98 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.295 3.33 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.78 139.09 40.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.77 127.17 93.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.635 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 72.6 Cg_exo -55.3 140.68 81.87 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 1.0 109.586 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -67.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 1.0 109.324 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 136.36 96.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.78 135.08 7.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.329 3.353 . . . . 1.0 109.646 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.87 140.66 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.1 151.1 23.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' VAL . 71.2 t -123.99 62.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 142.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.63 -127.1 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -56.96 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -160.15 25.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -137.83 155.92 48.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -124.13 119.92 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.27 114.59 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -66.36 150.17 49.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 41.9 t80 -138.25 112.16 8.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 111.002 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 43.8 Cg_endo -84.38 130.06 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.266 3.311 . . . . 1.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.635 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -83.65 -34.74 24.97 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.123 0.889 . . . . 1.0 109.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.999 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.55 -67.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.999 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 89.3 Cg_exo -39.23 -35.51 0.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.297 3.331 . . . . 1.0 109.589 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -108.95 50.15 0.79 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.134 0.896 . . . . 1.0 109.787 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 10.2 tt0 -91.96 -27.87 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -83.01 -39.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.39 125.23 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -53.43 152.65 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -75.93 -28.15 57.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.41 -21.62 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 1.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 m -69.61 -36.63 76.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.4 m -102.36 -56.32 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 108.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -78.95 68.11 4.82 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.768 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 6.6 p80 -56.27 143.04 35.36 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.173 0.921 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.18 147.48 35.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.41 108.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.7 t0 53.3 46.1 27.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.06 32.95 84.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 1.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 166.25 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.77 134.54 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.97 163.59 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.969 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.8 m-85 -159.36 35.35 0.2 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.817 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.11 174.28 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 163.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.697 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.7 m -89.25 25.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.2 57.1 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 15.1 m -101.87 144.75 30.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 1.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -36.09 125.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.965 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.08 -38.85 2.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.434 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -90.77 -144.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.966 ' CE1' HG11 ' A' ' 67' ' ' VAL . 24.4 m-70 -66.33 60.02 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -68.74 -48.01 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 44.9 t0 -60.15 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -118.37 4.69 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.8 m -105.32 -58.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -41.25 147.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -25.18 14.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.52 146.53 47.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.62 144.28 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.574 1.171 . . . . 1.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -76.4 0.99 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 0.799 . . . . 1.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.26 11.57 29.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.7 OUTLIER -101.2 146.89 26.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 1.0 109.973 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 46' ' ' CYS . 64.8 tp -88.52 -23.54 23.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 2.8 t80 -81.32 -40.53 23.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.857 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 67.6 t80 -73.64 10.58 1.04 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.903 -0.57 . . . . 1.0 109.812 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.966 HG11 ' CE1' ' A' ' 52' ' ' HIS . 1.4 m -126.6 31.14 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.511 HG13 ' SG ' ' A' ' 79' ' ' CYS . 20.1 t -153.71 -48.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.535 ' HA ' HD12 ' A' ' 80' ' ' LEU . 24.1 m80 -86.26 -39.1 16.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.771 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -38.83 109.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -3.57 34.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.32 -160.92 13.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 1.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 137.09 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 1.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.79 -168.27 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -85.61 -18.5 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 32.3 m80 -138.29 -173.26 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 1.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m -94.17 135.49 35.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.52 176.83 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.511 ' SG ' HG13 ' A' ' 68' ' ' VAL . 4.1 m -78.81 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 108.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 98' ' ' THR . 4.9 mt -53.94 -18.94 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' CD ' ' A' ' 85' ' ' LYS . . . -73.74 -48.84 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.32 35.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 108.303 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 8.7 m170 -128.08 -65.54 0.9 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.726 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.535 ' O ' HG22 ' A' ' 87' ' ' VAL . 42.9 t -57.48 -15.86 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 110.032 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 mptt -91.29 -36.77 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.48 -43.2 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 84' ' ' SER . 18.5 m -54.4 -25.22 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -40.6 -33.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.89 -43.67 7.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.78 23.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.99 10.0 2.81 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.282 3.321 . . . . 1.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -9.07 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.19 0.6 19.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -53.7 -19.2 3.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 43.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.02 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -95.86 23.25 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -160.74 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.28 124.01 0.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.984 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.7 m -73.42 -46.45 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.51 135.0 51.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 1.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 66.62 56.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -126.58 164.31 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 1.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.8 mmmt -53.29 -21.08 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.32 -72.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 108.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.24 113.75 46.11 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.781 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 C-N-CA 124.32 3.347 . . . . 1.0 109.577 179.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.68 170.54 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.342 3.362 . . . . 1.0 109.607 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 125.56 34.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 1.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.0 p -47.58 122.77 8.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 67.3 Cg_exo -55.29 137.01 76.03 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.323 3.348 . . . . 1.0 109.594 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.38 32.58 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' PRO . 2.8 tmtt? -149.28 117.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' LYS . 12.5 Cg_exo -33.01 112.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 20' ' ' PHE . 29.1 m -93.28 151.84 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.5 mm-40 -103.31 131.63 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 11' ' ' VAL . 77.8 t -102.37 73.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -52.65 151.8 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.21 -138.8 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -52.06 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -161.54 26.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.01 161.22 36.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.4 m -134.11 128.91 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 1.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.98 118.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -71.52 148.85 46.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 1.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 9' ' ' VAL . 35.1 t80 -138.37 111.16 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 67.1 Cg_endo -81.89 132.66 7.58 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.355 3.37 . . . . 1.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.446 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 2.3 m80 -85.04 -36.05 21.49 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.116 0.885 . . . . 1.0 109.782 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.25 -71.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 62.6 Cg_exo -37.79 -36.52 0.44 Allowed 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.33 3.353 . . . . 1.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -102.41 49.62 0.84 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.11 0.881 . . . . 1.0 109.8 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.7 mt-10 -92.06 -26.19 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -39.6 29.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.03 129.26 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -59.04 170.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -87.53 -33.36 18.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -23.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 1.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -65.6 -46.44 79.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 m -94.85 -56.03 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.302 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -77.86 63.61 2.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 6.3 p80 -52.85 147.89 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.14 0.9 . . . . 1.0 109.734 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.04 147.06 45.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.345 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 38' ' ' ASP . 18.4 t -70.29 -124.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG12 ' A' ' 37' ' ' VAL . 36.1 p30 -98.59 28.98 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.71 52.75 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 1.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 116.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 0.799 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.5 tt0 -48.9 141.39 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.63 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.88 163.39 38.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.1 m-85 -154.79 43.96 0.5 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.825 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.33 -178.5 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 166.4 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.758 ' O ' HD13 ' A' ' 64' ' ' LEU . 60.8 m -92.22 22.63 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.81 58.51 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 1.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 m -103.88 147.15 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 1.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.3 m -36.76 128.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.74 -35.93 4.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -94.35 -145.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.841 ' CE1' HG11 ' A' ' 67' ' ' VAL . 23.2 m-70 -65.47 61.42 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.765 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -72.56 -41.2 66.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 41.7 t0 -67.21 125.92 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 5.43 12.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 -56.82 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -40.67 141.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -91.41 -37.71 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.71 148.21 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.51 145.87 6.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.54 0.67 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 1.0 110.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -105.61 7.79 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -101.57 141.01 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 46' ' ' CYS . 66.7 tp -82.55 -26.29 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 33.8 t80 -74.97 -40.5 60.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.856 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 25.2 t80 -66.17 -5.48 10.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.92 -0.562 . . . . 1.0 109.824 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.841 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.5 m -118.43 40.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' VAL . 53.5 t -159.84 -47.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.0 m80 -104.29 22.89 14.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.755 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.54 100.43 10.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HG3' HD23 ' A' ' 80' ' ' LEU . 11.5 ttp85 -92.63 -15.88 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.69 -158.13 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 1.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.61 135.28 33.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.767 . . . . 1.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -140.56 -171.77 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.03 -8.96 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 26.7 m80 -139.6 177.3 8.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 1.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -90.05 129.37 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 172.61 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.87 -64.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.539 HD23 ' HG3' ' A' ' 71' ' ' ARG . 7.0 tt -54.47 -21.16 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.88 -52.04 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -45.64 -51.6 11.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.762 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.5 t -53.47 -54.98 29.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.014 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 mttt -59.63 -33.59 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.81 -62.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' SER . 35.9 m -52.54 -20.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.1 -36.5 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.28 -37.62 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.24 93.19 47.94 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.88 12.6 2.39 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.314 3.343 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -97.36 -8.71 28.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.4 mt -109.98 -1.01 17.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.38 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -86.25 11.97 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.15 -43.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -103.23 49.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 163.58 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 110.427 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.28 129.41 32.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 1.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 34.4 m -77.54 -50.06 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.02 134.11 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mttp 66.82 54.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 p -123.12 164.02 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -54.98 -22.34 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 16.5 m -93.77 -71.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.81 113.8 40.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.822 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.051 0.929 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ALA . 52.3 Cg_exo -46.71 174.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.309 3.339 . . . . 1.0 109.551 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.01 124.4 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.0 p -46.16 128.11 7.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.73 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 50.6 Cg_exo -57.86 135.41 68.84 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.319 3.346 . . . . 1.0 109.616 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.58 22.84 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.476 ' CD ' ' HD2' ' A' ' 8' ' ' PRO . 1.3 tptt -138.67 121.7 10.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 7' ' ' LYS . 23.2 Cg_exo -33.9 111.12 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.315 3.343 . . . . 1.0 109.599 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 20' ' ' PHE . 5.3 m -90.29 140.83 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -93.51 128.64 39.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.25 67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -43.14 140.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.95 -146.2 5.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 1.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.77 39.89 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 1.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -168.73 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 -168.92 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 m -122.69 140.87 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.0 116.25 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.23 148.64 41.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.3 t80 -139.0 117.53 9.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 63.7 Cg_endo -83.52 135.84 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.281 3.32 . . . . 1.0 109.614 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -86.89 -37.81 17.33 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.779 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.76 -71.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.3 Cg_exo -38.43 -32.7 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.386 3.391 . . . . 1.0 109.521 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -103.85 52.8 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.153 0.908 . . . . 1.0 109.802 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.75 39.86 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 110.243 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.88 -46.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.639 ' CG1' HG21 ' A' ' 32' ' ' THR . 17.7 t -76.84 124.79 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.08 156.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.0 m -74.84 -27.01 60.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.38 -27.56 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.639 HG21 ' CG1' ' A' ' 28' ' ' VAL . 22.2 m -60.96 -51.58 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 4.6 m -86.47 -53.81 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 108.348 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.3 m-70 -84.16 85.48 7.35 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.775 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.8 p80 -67.02 157.75 32.69 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.149 0.906 . . . . 1.0 109.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.99 149.05 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -110.37 103.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 109.331 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 59.25 54.09 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.347 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.58 29.17 47.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 158.64 40.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.62 134.77 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -146.22 163.55 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.991 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.1 m-85 -159.22 33.85 0.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.82 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.43 -178.45 6.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -60.75 145.98 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -66.35 -36.23 82.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 108.266 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -108.47 56.2 0.48 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.6 m -91.94 141.81 28.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 1.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.5 m -37.62 123.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.1 -36.61 4.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.8 m -89.17 -142.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.406 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 40.2 m-70 -65.1 59.26 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.004 -0.998 . . . . 1.0 109.799 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -72.64 -51.09 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.806 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 14.8 t70 -54.17 128.6 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -121.26 8.35 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.806 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -45.79 126.02 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 1.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 165.8 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.21 139.64 5.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 1.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -75.67 -0.68 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 1.0 110.28 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -113.13 7.75 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -98.6 136.02 39.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.96 -22.73 49.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 48.8 t80 -78.49 -41.97 31.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.835 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.627 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.7 t80 -54.82 -16.46 2.64 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.799 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.928 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.84 55.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 67' ' ' VAL . 13.1 t -163.37 -48.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 68' ' ' VAL . 6.5 m80 -111.73 23.85 13.4 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.008 -0.997 . . . . 1.0 109.753 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -96.54 108.44 21.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.605 ' HB3' HD12 ' A' ' 80' ' ' LEU . 11.1 ptt180 -102.93 -1.04 30.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.6 -158.84 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 137.25 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -140.76 -170.68 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -81.92 -16.31 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 50.4 m-70 -138.96 -169.52 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.584 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.85 127.91 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.469 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 8.4 m -86.97 171.21 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 m -73.33 -58.22 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 1.0 108.237 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 71' ' ' ARG . 1.8 tm? -53.86 -22.05 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.51 -62.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 49.4 t -55.25 -62.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 108.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 87' ' ' VAL . 52.4 m170 -37.77 -51.67 1.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.767 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.81 -51.57 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 1.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 11.0 mttt -66.24 -30.96 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.0 t -64.91 -63.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 83' ' ' HIS . 30.6 m -53.68 -20.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.85 -35.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -95.1 -41.16 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.32 94.98 33.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.92 11.85 2.64 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.331 3.354 . . . . 1.0 109.606 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.69 -10.55 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASP . 47.7 mt -106.09 -4.9 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -50.65 -28.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 30.29 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -152.07 -45.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 98' ' ' THR . 1.1 mm? -101.92 50.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 164.7 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.91 133.47 36.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 1.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 40.9 m -80.66 -51.56 8.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.98 134.98 50.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 1.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? 66.65 48.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.7 p -118.58 164.65 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -57.66 -24.01 54.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 1.0 109.336 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.15 -63.54 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 108.345 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.82 109.96 46.85 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 C-N-CA 124.255 3.303 . . . . 1.0 109.629 179.814 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.097 0.951 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.2 Cg_endo -49.61 171.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.323 3.348 . . . . 1.0 109.633 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.73 133.14 35.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.296 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.85 123.38 71.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.701 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 51.3 Cg_exo -57.0 136.23 75.49 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.34 3.36 . . . . 1.0 109.631 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 29.56 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -145.27 116.48 5.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -34.35 103.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.286 3.324 . . . . 1.0 109.627 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.463 HG13 ' O ' ' A' ' 7' ' ' LYS . 15.5 m -89.47 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 1.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.6 pt-20 -92.7 131.16 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 11' ' ' VAL . 94.4 t -97.02 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 1.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 15.7 mmtt -39.89 142.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 1.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 -129.88 2.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 1.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.4 p -69.22 -56.37 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 1.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -160.19 31.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -143.56 146.09 33.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 10' ' ' GLU . 24.2 m -117.11 134.39 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.16 108.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 1.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 19' ' ' MET . 2.8 ptp -64.13 140.61 58.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -131.61 118.43 16.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.4 Cg_endo -87.96 132.01 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.283 3.322 . . . . 1.0 109.626 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.701 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.7 m80 -84.3 -37.47 21.62 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.145 0.903 . . . . 1.0 109.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.03 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.18 -69.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.03 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 57.7 Cg_exo -40.44 -31.42 0.61 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.302 3.334 . . . . 1.0 109.628 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -112.82 50.1 0.9 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.137 0.898 . . . . 1.0 109.761 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -111.96 38.48 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 1.0 110.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -45.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.633 HG11 HG21 ' A' ' 32' ' ' THR . 18.5 t -70.91 124.28 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -38.27 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -72.65 -26.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 1.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.93 -22.54 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.633 HG21 HG11 ' A' ' 28' ' ' VAL . 63.1 m -64.35 -48.56 75.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.8 m -93.98 -55.33 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -78.61 74.89 5.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.751 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.0 p80 -61.46 156.14 20.08 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.21 0.944 . . . . 1.0 109.735 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.1 145.49 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.55 126.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 55.02 27.69 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.97 43.32 82.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.21 148.49 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.91 138.79 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 1.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.89 163.17 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 1.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.8 m-85 -154.88 31.87 0.4 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.871 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.45 -179.58 7.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.14 162.08 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.48 ' O ' HD13 ' A' ' 64' ' ' LEU . 62.3 m -91.93 23.99 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.46 59.25 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 1.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.7 OUTLIER -104.08 149.58 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 1.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 50.5 m -36.69 126.28 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 1.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . 99.06 -36.15 4.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 2.4 m -94.1 -148.26 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.319 -0.993 . . . . 1.0 108.319 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CE1' HG11 ' A' ' 67' ' ' VAL . 16.9 m-70 -66.42 58.5 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.755 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -87.4 -8.3 56.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.03 111.05 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.63 16.65 20.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -55.96 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.15 161.93 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -41.2 4.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -109.65 150.41 28.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.74 153.7 8.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 3.22 15.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 1.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.49 -5.55 26.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -92.34 142.86 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -84.88 -28.93 25.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -71.85 -42.87 66.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.819 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 42.3 t80 -65.24 -7.48 13.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.894 -0.574 . . . . 1.0 109.815 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.2 m -115.85 47.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.5 t -160.48 -50.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 3.1 m80 -98.94 4.87 47.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.795 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -73.43 95.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.17 -14.54 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.81 -156.93 1.09 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 1.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -90.44 134.54 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' A' ' 78' ' ' SER . 1.7 mt -139.68 -167.68 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -92.76 -34.52 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 52.2 m-70 -115.92 -172.53 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 m -98.32 125.05 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 50.8 m -89.35 169.4 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.44 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -66.62 -66.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 1.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.0 mt -46.11 -23.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.83 -50.91 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.22 30.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 87' ' ' VAL . 2.9 m170 -129.31 -50.06 1.19 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.742 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -72.99 -24.75 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 32.1 mttt -88.96 -35.09 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.11 -46.81 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 83' ' ' HIS . 24.7 m -58.96 -21.76 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.9 -36.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 -38.15 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -124.57 85.15 56.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.84 8.86 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.299 3.333 . . . . 1.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -5.02 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 1.0 110.334 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 97' ' ' LEU . 79.4 mt -113.26 -3.45 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HA ' HG11 ' A' ' 87' ' ' VAL . 3.6 tttm -47.53 -54.05 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 1.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -25.16 11.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.775 ' C ' HD22 ' A' ' 97' ' ' LEU . 2.0 m-20 -95.07 -37.21 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.775 HD22 ' C ' ' A' ' 96' ' ' ASP . 0.6 OUTLIER -114.41 55.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 1.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.01 -27.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.395 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.08 127.7 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.8 m -75.92 -47.63 24.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.39 135.83 49.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt 68.42 53.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 1.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 p -125.67 163.55 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -59.91 -16.82 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 74.0 m -92.14 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.21 111.32 49.71 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.773 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.312 3.341 . . . . 1.0 109.589 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.093 0.949 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.2 171.81 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.297 3.331 . . . . 1.0 109.596 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.87 118.02 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -40.16 121.33 1.6 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.487 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 75.6 Cg_exo -53.52 139.38 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.298 3.332 . . . . 1.0 109.637 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.64 -77.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.26 133.18 61.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.22 141.74 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.288 3.325 . . . . 1.0 109.625 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 20' ' ' PHE . 15.0 m -111.64 141.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 4.4 mm-40 -91.93 129.84 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 11' ' ' VAL . 92.7 t -102.67 68.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -47.82 147.23 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.51 -134.5 3.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.9 p -72.76 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 1.0 109.966 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -148.72 32.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -154.74 155.85 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.1 m -125.88 132.21 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.52 115.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.418 ' O ' HG22 ' A' ' 9' ' ' VAL . 29.1 t80 -142.21 110.9 5.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 45.2 Cg_endo -83.19 128.49 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.343 3.362 . . . . 1.0 109.629 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.487 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.1 m80 -82.36 -40.16 21.75 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.195 0.934 . . . . 1.0 109.806 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.48 -69.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 79.0 Cg_exo -34.15 -42.09 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.364 3.376 . . . . 1.0 109.538 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -95.44 50.58 1.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 124.117 0.886 . . . . 1.0 109.766 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.7 pt-20 -107.24 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -143.01 -47.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 9.1 t -60.29 143.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CG ' ' OG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -45.0 171.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -100.6 22.38 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 1.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.43 -40.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.462 ' OG1' ' CG ' ' A' ' 29' ' ' GLU . 2.4 m -42.03 -48.67 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -86.77 -56.6 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 108.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -86.52 76.49 9.58 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.727 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 5.8 p80 -64.92 155.09 35.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.126 0.891 . . . . 1.0 109.769 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.1 mt -76.67 150.99 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 40' ' ' LYS . 3.0 t -111.43 97.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 1.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.55 49.89 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.85 35.34 82.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HE3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -135.4 127.55 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.12 140.5 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -151.61 162.91 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.7 m-85 -157.29 42.89 0.33 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.81 175.02 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 mttt -53.18 158.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.579 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.3 m -88.26 27.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 1.0 108.266 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.51 56.83 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 1.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.4 m -101.69 148.07 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 1.0 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -36.23 127.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 109.981 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.99 -36.51 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -90.66 -148.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 17.4 m-70 -66.18 59.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.735 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -70.76 -43.19 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 1.0 109.278 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.815 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 17.6 t70 -61.13 130.26 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 54' ' ' ASP . 2.6 mt -125.93 11.83 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -116.77 -58.17 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -42.7 149.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 66' ' ' TYR . 2.9 mttt -86.53 -72.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.25 152.04 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.27 140.39 4.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 1.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.23 -0.98 21.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 1.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -105.15 4.53 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.557 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -97.06 145.15 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 110.0 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 46' ' ' CYS . 56.3 tp -87.17 -31.29 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 45.3 t80 -68.42 -42.04 79.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.615 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 26.4 t80 -64.84 -4.01 3.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.881 -0.58 . . . . 1.0 109.784 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.1 m -109.06 19.42 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -139.87 -49.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 1.4 m80 -101.96 39.52 1.46 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -114.91 97.07 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -92.28 -8.68 44.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.7 -158.17 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.151 . . . . 1.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 136.53 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 mt -140.07 -170.11 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.2 mmtt -89.92 -17.5 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 1.0 109.292 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 29.7 m80 -139.54 -172.5 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.661 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -94.26 136.82 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.45 173.0 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.404 ' C ' ' N ' ' A' ' 81' ' ' ALA . 3.5 m -75.96 -70.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.68 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -68.92 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 86' ' ' VAL . 39.3 t -53.37 -48.1 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.415 ' CE1' HD13 ' A' ' 97' ' ' LEU . 25.9 m170 -48.5 -50.94 29.7 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.739 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -45.32 71.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 1.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 12.8 mttp -68.81 -31.84 71.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 82' ' ' CYS . 34.8 t -64.8 -61.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.6 m -53.39 -21.14 3.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.5 -35.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.21 -36.53 12.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -121.41 93.26 48.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.04 11.48 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.346 . . . . 1.0 109.601 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -98.4 -6.13 31.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 1.0 110.353 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.8 mt -112.87 0.65 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -54.39 -29.88 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 11.64 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.3 m-20 -128.45 -44.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.575 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -104.06 49.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 162.74 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.432 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.3 129.67 28.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -78.84 -50.24 11.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.55 130.5 54.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 67.36 57.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.6 p -126.01 164.23 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 1.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.71 43.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.15 -70.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 108.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -87.62 112.7 50.3 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.853 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 122.094 0.95 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ALA . 51.2 Cg_exo -48.0 176.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.275 3.317 . . . . 1.0 109.611 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' VAL . . . -83.97 118.94 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.362 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' ALA . 5.4 p -38.69 127.99 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.603 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.1 Cg_exo -56.82 135.12 68.83 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.346 3.364 . . . . 1.0 109.605 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -65.38 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 125.26 87.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -35.49 137.02 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.363 3.376 . . . . 1.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -112.83 138.32 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 147.24 26.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.7 t -113.6 60.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -46.11 139.58 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.27 -126.41 2.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 p -71.25 -57.96 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 1.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.88 30.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -139.71 145.8 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 1.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -119.26 124.91 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 1.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.62 121.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.42 153.92 40.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.447 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 46.6 t80 -143.78 95.19 5.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 1.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.48 122.5 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.31 3.34 . . . . 1.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 5.2 m80 -75.3 -23.21 57.32 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.135 0.897 . . . . 1.0 109.755 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.085 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.79 -67.69 0.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.085 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -43.4 -52.64 4.89 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.305 3.337 . . . . 1.0 109.621 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -85.8 54.03 2.98 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.209 0.943 . . . . 1.0 109.74 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.0 mt-10 -95.36 -27.43 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -84.99 -43.63 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.63 123.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.92 151.43 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -73.63 -29.92 62.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 108.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -25.13 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.0 m -63.29 -41.58 98.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 12.4 m -97.53 -56.37 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.254 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -79.96 61.75 3.95 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.752 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.8 p80 -42.73 164.98 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.101 0.876 . . . . 1.0 109.75 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.729 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.5 pp -113.13 133.33 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' GLY . 2.5 t -109.95 149.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 42.08 28.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 1.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 56.35 40.4 85.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.145 . . . . 1.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.0 mttm -128.63 84.62 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LYS . 27.5 tt0 -36.59 134.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.66 170.3 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' SER . 46.0 m-85 -153.95 48.91 0.64 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.812 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.82 177.82 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.82 161.57 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 55.8 m -93.5 25.12 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.22 57.77 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.2 m -103.44 145.86 29.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 0.777 . . . . 1.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.4 m -36.63 126.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 1.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.2 3.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -90.37 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.016 . . . . 1.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CE1' HG11 ' A' ' 67' ' ' VAL . 32.0 m-70 -65.71 60.61 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -81.73 -10.86 59.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' SER . 8.9 t0 -92.6 111.69 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -102.79 -37.02 8.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.5 m -63.88 -60.88 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.48 158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -65.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 1.3 mmtp -94.42 164.81 12.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.96 147.75 8.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 1.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.52 -5.33 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 1.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 8.43 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -97.02 137.63 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 1.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 46' ' ' CYS . 43.9 tp -82.29 -27.25 32.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.806 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 17.4 t80 -78.15 -42.98 30.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 36.1 t80 -59.72 -13.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.878 -0.582 . . . . 1.0 109.814 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 68' ' ' VAL . 30.9 m -115.84 48.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 67' ' ' VAL . 41.1 t -160.4 -50.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.806 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 50.6 m80 -91.57 -44.93 8.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.774 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -35.49 111.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.08 0.07 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.02 -158.66 13.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.47 -168.72 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -84.82 -24.79 28.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 67.0 m-70 -130.42 -172.6 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.605 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.93 122.84 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -84.42 171.96 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' LEU . 1.5 m -69.0 -73.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' CYS . 2.7 mp -40.42 -33.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.9 t -53.66 -61.36 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.754 ' O ' HG22 ' A' ' 87' ' ' VAL . 36.4 m170 -36.45 -49.49 0.73 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.751 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 t -55.87 -49.26 73.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 13.4 mttp -65.81 -32.83 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 88' ' ' ALA . 2.7 t -66.63 -66.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.3 m -50.41 -22.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.44 -36.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.66 -40.92 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.9 91.57 39.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.41 7.29 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.26 3.306 . . . . 1.0 109.642 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.85 -3.69 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 1.0 110.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 93' ' ' LEU . 11.3 mt -114.62 0.04 13.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.785 ' HA ' HG11 ' A' ' 87' ' ' VAL . 4.4 ttpt -58.05 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.04 -19.79 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.726 ' C ' HD23 ' A' ' 97' ' ' LEU . 7.9 m-20 -101.29 -42.27 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -105.79 53.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.92 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 110.444 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -53.33 128.23 38.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 47.5 m -76.95 -49.37 15.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.75 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 51.49 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 62.3 p -122.7 164.12 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 1.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.09 21.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.66 -72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -83.55 113.55 47.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 N--CA 1.448 -1.196 0 C-N-CA 124.276 3.317 . . . . 1.0 109.565 179.862 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 122.102 0.953 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.3 Cg_endo -48.66 173.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.374 3.383 . . . . 1.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.85 136.9 33.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 1.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.5 p -60.81 122.79 71.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.498 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 53.8 Cg_exo -56.02 138.11 81.38 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.338 3.359 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.42 -67.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 22.6 pttt -56.63 125.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -36.33 123.62 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.36 3.374 . . . . 1.0 109.559 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -99.7 144.17 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.312 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.9 pt-20 -95.62 140.83 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 11' ' ' VAL . 81.1 t -107.27 64.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.24 144.64 3.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 -124.66 2.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 1.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -78.86 -50.9 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 1.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.26 27.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -137.41 154.52 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 20.5 m -128.49 128.06 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -129.18 122.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.62 150.91 41.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.476 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 46.1 t80 -141.9 93.23 7.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 8.2 Cg_exo -72.12 120.0 6.53 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 1.0 109.62 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 5.9 m80 -70.8 -25.46 62.87 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.178 0.924 . . . . 1.0 109.789 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.038 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -46.43 -67.05 0.42 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.038 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 52.6 Cg_exo -44.32 -41.21 13.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 1.0 109.585 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -99.78 54.18 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.132 0.895 . . . . 1.0 109.706 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.56 39.89 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -46.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.542 HG11 HG21 ' A' ' 32' ' ' THR . 17.5 t -69.73 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.62 156.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.4 m -75.81 -28.63 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.09 -24.18 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.542 HG21 HG11 ' A' ' 28' ' ' VAL . 26.4 m -62.55 -50.98 69.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 1.0 110.399 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -91.33 -54.6 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.0 108.276 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.7 m-70 -80.27 78.93 6.91 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.769 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.7 p80 -63.05 155.34 28.0 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.134 0.896 . . . . 1.0 109.77 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.4 mt -74.3 146.32 43.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -106.2 104.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.34 43.7 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 1.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 36.72 93.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -142.78 124.45 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -52.1 139.75 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -150.16 160.72 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 1.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 48.9 m-85 -156.44 45.94 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.83 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.64 174.62 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.63 159.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 64' ' ' LEU . 57.0 m -94.86 24.23 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 1.0 108.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.17 57.91 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.572 1.17 . . . . 1.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.69 152.99 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 1.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -42.79 124.74 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.14 -36.52 4.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 1.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -92.01 -146.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 33.4 m-70 -65.77 60.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -69.24 -38.15 78.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.314 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 31.2 t0 -72.97 124.96 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.35 4.96 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -103.3 -54.17 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 1.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -45.4 151.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -32.01 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.63 146.17 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 1.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.7 144.32 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 1.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.31 -1.95 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 1.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.75 7.08 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -99.36 147.6 25.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.157 . . . . 1.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 46' ' ' CYS . 53.2 tp -91.51 -24.82 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 49.7 t80 -76.21 -39.85 53.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.796 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 31.4 t80 -67.58 -1.86 5.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.956 -0.545 . . . . 1.0 109.832 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.5 m -114.37 17.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.21 -49.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 1.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 1.8 m80 -102.4 38.48 1.68 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.756 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -109.29 99.56 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -8.15 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 1.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.21 -159.28 10.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 1.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.02 136.46 33.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 1.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 70' ' ' ALA . 2.7 mt -141.05 -169.13 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -22.86 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 60.3 m-70 -134.85 -174.15 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.3 m -96.22 128.97 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 69.9 m -91.63 169.05 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.417 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -67.86 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 1.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -49.05 -22.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -74.56 -49.39 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 35.9 t -92.49 30.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.495 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.5 m170 -130.34 -51.88 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.047 -0.979 . . . . 1.0 109.769 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 87' ' ' VAL . 52.9 p -69.39 -27.28 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 mttt -89.37 -30.67 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -61.05 -40.95 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 1.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.4 m -63.97 -20.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.66 -38.02 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.34 -26.92 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.93 84.1 54.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.5 8.84 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.309 3.34 . . . . 1.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -5.43 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 1.0 110.334 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.79 1.29 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -56.37 -18.16 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -109.42 37.62 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -155.84 -44.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 98' ' ' THR . 0.1 OUTLIER -99.41 24.04 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -162.23 -43.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -36.61 127.59 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 1.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.41 -43.55 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.22 135.29 54.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.11 51.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 10.1 p -121.28 165.15 15.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 1.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -20.69 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.427 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m -96.12 -71.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 1.0 108.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.5 111.36 41.09 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.777 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 47.0 Cg_exo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.282 3.321 . . . . 1.0 109.614 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.055 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.26 169.47 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 124.243 3.295 . . . . 1.0 109.64 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.91 131.7 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -63.18 122.35 74.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.504 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.6 Cg_exo -53.97 138.72 70.22 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.322 3.348 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 -60.45 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 138.72 80.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.55 139.02 7.42 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.305 3.337 . . . . 1.0 109.59 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -108.73 139.06 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 1.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -82.14 126.9 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 11' ' ' VAL . 97.9 t -96.88 57.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -43.88 140.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.73 -129.7 2.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 1.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 p -71.54 -58.9 3.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 1.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.33 35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -147.22 149.1 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -123.34 127.45 48.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.79 106.59 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptt? -63.54 138.63 58.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.74 122.08 16.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.598 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -87.61 140.1 5.1 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.347 3.365 . . . . 1.0 109.586 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -89.39 -39.52 13.35 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.141 0.901 . . . . 1.0 109.739 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.59 -71.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 77.3 Cg_exo -37.49 -34.01 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.346 3.364 . . . . 1.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -104.05 49.73 0.81 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.141 0.901 . . . . 1.0 109.751 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 5.1 tt0 -111.04 42.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.238 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 32' ' ' THR . 3.8 t -60.62 134.78 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' VAL . 5.8 mt-10 -39.24 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.73 10.46 20.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.84 -5.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.3 m -73.66 -44.42 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -93.88 -59.27 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 108.342 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -78.95 81.17 5.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.786 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 11.6 p80 -71.48 149.8 45.48 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.154 0.909 . . . . 1.0 109.766 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.85 152.52 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -108.4 101.27 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t0 58.18 43.25 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.91 88.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 1.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -138.06 118.74 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 1.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -44.92 134.34 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -153.79 160.73 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 110.037 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 42' ' ' SER . 34.7 m-85 -155.07 30.26 0.4 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.845 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.93 -177.32 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 144.32 56.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.32 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 85.2 m -61.49 -32.83 72.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 108.276 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.47 57.62 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 1.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.5 m -93.89 139.86 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 1.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . 8.2 t -37.97 119.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.44 -32.05 7.32 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -97.47 -142.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.611 ' CE1' HG11 ' A' ' 67' ' ' VAL . 43.4 m-70 -64.4 62.05 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.79 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -68.56 -50.27 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 122.9 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -116.01 7.49 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -107.97 -60.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.02 146.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -28.9 12.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 140.68 47.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.4 141.78 5.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -1.41 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 1.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.65 7.78 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -99.61 141.36 32.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 1.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.444 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 68.2 tp -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 36.8 t80 -78.59 -41.7 31.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.653 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 22.3 t80 -66.03 -7.59 18.21 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.951 -0.547 . . . . 1.0 109.829 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 52' ' ' HIS . 10.7 m -111.87 35.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.502 HG23 ' C ' ' A' ' 67' ' ' VAL . 91.9 t -156.87 -47.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.504 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.8 m80 -101.08 26.96 6.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -97.94 108.77 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -92.28 -32.66 14.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -56.57 -160.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.44 1.087 . . . . 1.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.406 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 tt0 -100.99 142.14 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 1.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB1' ' A' ' 70' ' ' ALA . 2.0 mt -143.41 -171.81 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -26.01 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -131.93 -167.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 109.612 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.56 124.29 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 1.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -74.5 176.3 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 110.014 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.406 ' N ' ' OG ' ' A' ' 78' ' ' SER . 3.3 m -76.65 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 80' ' ' LEU . 9.8 tt -56.93 -22.39 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.55 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.95 -57.4 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.0 108.265 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.496 ' CD2' HD12 ' A' ' 97' ' ' LEU . 62.7 m170 -39.62 -51.21 2.27 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.788 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -52.89 43.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mtpt -64.04 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.74 -59.01 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.57 -19.11 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.6 -40.58 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.28 -43.51 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 89' ' ' GLU . 2.1 mmmt -117.17 95.26 46.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.65 15.56 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.325 3.35 . . . . 1.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.69 -7.55 25.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.552 ' HB3' HD23 ' A' ' 97' ' ' LEU . 61.2 mt -109.02 -1.06 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -54.26 -27.57 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.7 15.3 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' LEU . 79.6 m-20 -134.65 -44.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 98' ' ' THR . 3.6 mm? -96.21 30.59 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.4 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.39 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.36 130.75 0.92 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.442 1.089 . . . . 1.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.4 m -81.34 -45.54 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.67 131.53 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.1 mttt 67.1 51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 12.9 p -119.65 163.24 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 1.0 110.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -55.27 -22.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.44 -74.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.92 112.19 43.4 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.447 -1.24 0 C-N-CA 124.301 3.334 . . . . 1.0 109.631 179.83 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -51.14 172.27 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.351 3.368 . . . . 1.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.11 117.9 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.0 109.311 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.2 p -40.1 127.38 1.66 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 4' ' ' VAL . 50.2 Cg_exo -58.12 145.18 93.45 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.331 . . . . 1.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -69.71 135.12 88.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.28 149.19 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 1.0 109.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.05 143.88 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.556 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.0 pt-20 -88.45 137.94 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.6 t -104.49 59.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 143.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.4 -123.46 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 p -74.71 -55.58 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 1.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.84 24.31 0.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -132.68 157.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 10' ' ' GLU . 3.9 m -135.08 108.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 1.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 118.61 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmt -70.43 149.85 46.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -140.87 118.41 7.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.8 Cg_endo -86.25 128.68 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.284 3.323 . . . . 1.0 109.583 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.62 -33.9 25.21 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.14 0.9 . . . . 1.0 109.751 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.78 -71.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 60.5 Cg_exo -38.19 -31.66 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -104.07 51.07 0.78 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.159 0.912 . . . . 1.0 109.748 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -110.87 40.22 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.35 -46.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.3 t -60.29 143.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' VAL . 6.4 mt-10 -46.1 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 t -102.01 10.04 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 108.319 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -3.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.0 m -72.59 -45.78 57.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 1.0 110.386 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 13.0 m -94.53 -58.44 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 108.316 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.7 73.52 3.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.784 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 7.2 p80 -58.57 154.4 14.33 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.221 0.951 . . . . 1.0 109.75 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.01 151.0 31.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.7 t -114.6 97.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 58.7 51.61 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.48 42.29 75.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 1.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.28 111.19 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 1.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.9 tt0 -53.25 140.36 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.06 164.3 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 42' ' ' SER . 50.0 m-85 -155.5 30.96 0.38 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.798 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.15 177.11 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -59.29 141.51 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 75.2 m -61.36 -32.02 71.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 1.0 108.321 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -113.67 57.86 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 1.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.9 m -94.38 143.69 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' SER . 53.4 p -38.39 125.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.28 -38.95 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 1.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.3 m -89.84 -142.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' HG11 ' A' ' 67' ' ' VAL . 38.7 m-70 -65.38 59.16 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.781 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.35 -49.38 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 38.9 t0 -61.64 120.77 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -116.24 3.27 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ALA . 92.3 m -102.65 -58.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -39.22 157.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -94.26 -58.83 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -102.43 156.66 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.28 139.88 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -4.8 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 1.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -109.34 9.9 25.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.43 138.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.953 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 49.4 tp -80.54 -35.59 34.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.69 -43.53 93.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.816 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.557 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 18.7 t80 -61.82 -15.96 46.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.572 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.2 m -112.81 43.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 69' ' ' HIS . 39.6 t -152.03 -49.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.628 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -110.17 40.97 1.83 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.779 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.713 ' HB3' ' OG ' ' A' ' 78' ' ' SER . . . -108.2 114.87 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -106.73 1.79 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.5 -162.2 34.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 13.2 pt-20 -97.56 137.01 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -140.94 -167.45 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -79.26 -23.61 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 78.0 m-70 -137.1 -177.91 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -80.96 129.51 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.713 ' OG ' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -69.36 179.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.977 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 68' ' ' VAL . 40.8 t -83.12 -62.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.661 HD11 ' HA ' ' A' ' 98' ' ' THR . 5.3 tp -66.44 -8.91 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.06 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 14.9 t -93.03 34.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 1.0 108.283 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 1.016 ' CE1' HD13 ' A' ' 97' ' ' LEU . 1.6 m-70 -141.13 -43.79 0.38 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.5 t -73.54 -19.25 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 1.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.7 mttp -99.62 -38.31 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.67 -38.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 94' ' ' LYS . 17.2 m -65.89 -23.69 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.48 -32.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 1.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -122.88 85.8 50.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.08 5.51 2.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.302 3.335 . . . . 1.0 109.591 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 -4.24 38.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.406 ' HA ' HD23 ' A' ' 93' ' ' LEU . 21.6 mt -112.45 -1.04 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HA ' HG11 ' A' ' 87' ' ' VAL . 11.8 tttm -54.93 -30.56 58.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.98 36.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -155.86 -43.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 1.016 HD13 ' CE1' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -102.69 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.661 ' HA ' HD11 ' A' ' 80' ' ' LEU . 0.9 OUTLIER 165.09 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -47.26 131.0 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.556 1.16 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.3 -51.26 11.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 132.39 53.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 mttm 65.49 58.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 30.3 p -126.34 165.2 19.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -58.19 -16.98 15.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.32 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 56.6 m -96.4 -73.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.94 113.71 47.47 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.704 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.269 3.313 . . . . 1.0 109.593 179.857 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.99 178.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.91 117.63 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -39.85 127.74 1.55 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.7 Cg_exo -56.39 138.08 82.61 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.322 3.348 . . . . 1.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.03 16.83 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 122.37 15.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -37.68 117.63 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.76 141.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -92.49 130.64 38.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.81 67.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -51.6 139.03 21.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.35 -130.66 3.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 1.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -69.5 -55.46 10.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 1.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -160.11 26.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -136.46 152.01 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -124.54 133.59 53.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.5 108.47 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -66.82 139.73 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -128.83 120.19 20.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.633 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -88.74 134.08 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.592 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -84.65 -38.41 19.87 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.124 0.89 . . . . 1.0 109.759 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.021 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.79 -68.86 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 1.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.021 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.0 Cg_exo -41.47 -33.13 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.316 3.344 . . . . 1.0 109.597 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.8 m80 -107.56 50.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.067 0.854 . . . . 1.0 109.8 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 3.7 tm-20 -112.45 42.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.329 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -143.01 -45.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 1.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.612 ' CG1' HG21 ' A' ' 32' ' ' THR . 45.3 t -58.59 136.8 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 3.4 mt-10 -38.6 158.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.9 11.36 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 1.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.13 -2.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 ' CG1' ' A' ' 28' ' ' VAL . 1.3 m -76.83 -45.16 29.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.85 -60.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 1.0 108.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.12 74.29 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.724 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.5 p80 -61.68 148.15 43.61 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.156 0.91 . . . . 1.0 109.808 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.23 150.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -111.68 95.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.65 51.02 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.37 94.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.87 119.14 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 1.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -50.31 138.14 17.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.35 161.5 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.5 m-85 -157.88 37.85 0.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.828 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.54 173.18 9.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' C ' ' H ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.63 153.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.548 ' O ' HD13 ' A' ' 64' ' ' LEU . 23.3 m -83.84 32.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -170.51 55.74 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -102.6 145.47 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 1.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -38.68 121.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -40.08 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.1 m -87.78 -143.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 28.2 m-70 -66.07 58.41 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.807 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -68.8 -44.6 73.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.9 t0 -65.27 121.63 15.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.65 0.84 14.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.102 . . . . 1.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.1 m -97.82 -58.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.49 152.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.34 -41.47 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 147.22 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.22 141.07 4.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 1.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -72.09 -5.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 1.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -106.78 8.04 30.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.421 ' O ' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -100.12 141.97 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 1.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 46' ' ' CYS . 54.2 tp -82.39 -28.73 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.09 -40.79 74.76 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -59.88 -12.35 7.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.921 -0.561 . . . . 1.0 109.821 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -119.88 54.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 1.01 ' O ' HD23 ' A' ' 80' ' ' LEU . 5.2 t -165.36 -47.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.666 ' CE1' HG12 ' A' ' 68' ' ' VAL . 8.6 m80 -112.89 29.38 8.02 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.755 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -102.8 113.39 26.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -107.0 4.43 27.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 1.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.57 -158.03 31.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 136.22 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 1.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -139.99 -168.38 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -83.68 -20.92 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 48.5 m-70 -130.54 -171.9 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 126.19 48.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 1.5 m -89.5 170.41 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.27 -67.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mm? -46.0 -31.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -65.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 45.4 t -53.85 -65.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 87' ' ' VAL . 63.6 m170 -34.32 -53.77 0.51 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.785 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -50.44 62.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.692 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 91.2 mttt -66.02 -31.21 71.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.58 -63.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 83' ' ' HIS . 19.3 m -52.98 -20.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -46.06 -30.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.26 -34.47 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.52 85.91 48.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 4.54 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.341 3.361 . . . . 1.0 109.609 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -10.94 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.48 -3.21 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.1 OUTLIER -55.24 -18.71 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 28.67 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.07 -44.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.843 ' O ' HG23 ' A' ' 98' ' ' THR . 0.2 OUTLIER -92.82 18.56 8.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -165.36 -41.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -29.3 128.33 0.1 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 1.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -77.91 -45.09 25.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.38 139.6 49.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.83 45.99 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -114.55 166.01 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.21 -18.79 17.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.2 m -96.07 -67.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 108.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -94.2 108.96 39.51 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.757 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 42.6 Cg_exo . . . . . 0 N--CA 1.447 -1.247 0 C-N-CA 124.326 3.351 . . . . 1.0 109.583 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 122.041 0.924 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.35 171.94 14.16 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.272 3.315 . . . . 1.0 109.582 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.62 126.6 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.12 121.96 59.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.678 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.4 Cg_exo -58.98 136.98 77.11 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.365 3.377 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.14 -61.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.16 119.89 68.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -35.97 136.65 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.582 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.35 139.67 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 129.84 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 1.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.28 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -42.35 131.43 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.14 -140.73 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 1.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -56.61 -29.9 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 1.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -172.06 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 164.73 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -134.95 118.55 16.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.2 112.29 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' MET . 8.7 ptm -69.55 143.54 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 1.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -130.49 117.29 17.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.1 Cg_endo -88.34 133.53 2.8 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.303 3.335 . . . . 1.0 109.598 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.678 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.8 m80 -86.29 -38.47 17.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.107 0.879 . . . . 1.0 109.782 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.62 -70.8 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.4 Cg_exo -37.68 -31.28 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.328 3.352 . . . . 1.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.409 ' N ' ' O ' ' A' ' 23' ' ' ALA . 71.6 m80 -105.32 50.72 0.77 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.165 0.916 . . . . 1.0 109.726 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.6 tt0 -107.95 43.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.54 -46.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.656 ' CG1' HG21 ' A' ' 32' ' ' THR . 39.9 t -72.21 123.28 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -39.38 155.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.3 m -74.76 -29.42 61.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.3 -31.82 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.656 HG21 ' CG1' ' A' ' 28' ' ' VAL . 39.4 m -54.05 -50.1 67.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.12 -51.02 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.8 m-70 -87.55 71.99 9.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.813 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 2.4 p80 -52.81 172.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.107 0.879 . . . . 1.0 109.801 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.474 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.1 pp -118.55 136.46 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.8 t -113.62 136.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 45.86 39.3 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 53.47 30.61 41.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -120.4 84.36 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -37.76 136.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -138.31 165.36 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 109.966 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 31.3 m-85 -154.89 32.76 0.4 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.04 173.84 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.14 159.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.675 ' O ' HD13 ' A' ' 64' ' ' LEU . 69.4 m -93.28 21.8 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.331 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.03 59.35 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -99.7 163.75 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 1.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.8 p -49.54 122.92 6.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -35.31 4.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.6 m -90.77 -149.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CE1' HG11 ' A' ' 67' ' ' VAL . 14.7 m-70 -65.62 60.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.761 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -75.2 -51.01 14.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' A' ' 57' ' ' ALA . 5.3 t70 -46.7 128.1 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 11.2 mt -119.5 10.44 11.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -59.26 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.497 ' HB3' ' CG ' ' A' ' 54' ' ' ASP . . . -44.93 137.32 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -34.53 14.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -111.44 143.02 42.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.41 146.95 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.86 3.43 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 1.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' HA ' ' A' ' 52' ' ' HIS . 9.0 mtpt -106.76 7.42 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.03 141.86 34.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 46' ' ' CYS . 62.8 tp -82.64 -12.56 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -85.8 -43.13 13.58 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.837 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.714 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.6 t80 -60.76 -12.63 11.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -112.1 46.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 67' ' ' VAL . 16.9 t -160.77 -48.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.443 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.8 m80 -107.89 29.38 7.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.77 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -98.5 97.97 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -94.88 -9.02 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.4 -157.34 8.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 1.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.29 138.75 31.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 70' ' ' ALA . 5.4 mt -143.09 -171.63 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -18.01 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.3 m80 -135.53 -175.93 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 1.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m -93.51 131.93 38.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 170.45 9.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -74.15 -71.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 108.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 1.4 tp -47.2 -23.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -70.06 -67.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.4 t -49.14 -57.81 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 108.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.412 ' O ' HG13 ' A' ' 87' ' ' VAL . 61.7 m170 -39.91 -38.88 0.75 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -63.46 -58.44 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.743 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 88' ' ' ALA . 36.2 t -64.89 -65.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.806 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.8 m -47.34 -24.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.96 -33.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -92.58 -36.09 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' VAL . 1.8 mtmm -124.25 85.58 55.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.37 3.67 3.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.277 3.318 . . . . 1.0 109.577 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -2.77 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.8 mt -116.14 2.23 13.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.806 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.4 OUTLIER -62.85 -37.11 85.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -10.64 49.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 6.3 m-20 -112.53 -33.33 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.559 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -108.21 49.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.37 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.427 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.72 131.27 31.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.5 -51.14 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.87 132.83 53.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.3 mttp 67.99 52.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 51.7 p -123.04 164.4 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -55.43 -31.5 61.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -95.76 109.19 44.86 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.76 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.448 -1.182 0 C-N-CA 124.3 3.333 . . . . 1.0 109.615 179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.418 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 122.114 0.959 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 43' ' ' TYR . 12.2 Cg_endo -51.52 171.79 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.314 3.342 . . . . 1.0 109.567 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.19 124.1 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.517 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 p -58.87 129.68 85.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.803 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 61.7 Cg_exo -56.05 137.34 78.94 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.339 3.359 . . . . 1.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -70.34 126.77 92.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -35.57 139.1 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.304 3.336 . . . . 1.0 109.567 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.11 140.83 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.3 mm-40 -84.18 142.36 30.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 11' ' ' VAL . 69.6 t -111.45 52.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -39.71 145.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.13 -126.63 2.23 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.1 p -69.09 -57.18 5.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.766 . . . . 1.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.9 25.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 1.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.13 145.17 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 10' ' ' GLU . 17.6 m -122.14 113.84 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 105' ' ' CYS . 16.5 t -117.05 119.65 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -74.65 150.94 39.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -134.48 118.26 13.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 37.8 Cg_endo -88.83 130.05 2.15 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.28 3.32 . . . . 1.0 109.625 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.803 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 4.5 m80 -84.05 -29.74 26.62 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.121 0.888 . . . . 1.0 109.789 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.2 -64.41 1.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 95.2 Cg_exo -41.51 -53.14 3.36 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -89.95 52.53 2.31 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.128 0.892 . . . . 1.0 109.76 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -30.96 18.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.44 -39.13 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.84 124.66 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -55.17 161.61 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.4 m -82.64 -29.47 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.23 -23.55 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.5 m -66.84 -44.77 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.5 m -94.64 -56.4 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.2 m-70 -79.99 69.8 6.44 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.697 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.1 p80 -56.04 143.06 33.92 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.123 0.889 . . . . 1.0 109.783 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.35 150.19 46.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -108.51 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 54.87 46.45 24.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.31 35.54 88.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 1.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 138.17 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 1.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 42' ' ' SER . 8.0 tt0 -59.87 140.73 56.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -156.04 171.6 19.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 1.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.6 m-85 -155.09 -72.65 0.12 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.798 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 33.8 -148.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.06 170.06 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 59.5 m -89.99 22.48 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.9 59.27 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.1 m -104.42 145.68 29.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 1.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 74.7 p -37.58 125.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 1.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -39.52 2.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 1.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -91.33 -143.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.714 ' CE1' HG11 ' A' ' 67' ' ' VAL . 28.8 m-70 -65.19 61.06 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.75 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -75.43 -41.87 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 13.7 t0 -63.89 116.32 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 3.5 mt -105.88 -34.36 7.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.5 m -63.94 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 1.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -41.91 157.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -71.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -83.45 169.7 15.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.33 141.95 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 1.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.74 -6.92 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -110.55 14.14 22.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -103.58 142.14 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.53 -31.97 32.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -69.13 -44.44 72.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.624 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.1 t80 -59.46 -18.42 39.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.862 -0.59 . . . . 1.0 109.809 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 68' ' ' VAL . 27.7 m -110.41 48.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 67' ' ' VAL . 18.4 t -161.32 -49.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.9 m80 -109.2 35.14 3.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.727 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -107.83 103.47 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -93.48 -8.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.15 -159.83 9.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -94.42 137.16 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 1.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.623 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.1 mt -140.78 -171.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -79.7 -26.45 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 63.9 m-70 -128.49 -172.2 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.575 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -98.18 125.88 43.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.396 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -83.75 170.81 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.4 m -74.58 -68.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 108.268 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 68' ' ' VAL . 1.9 mp -46.36 -32.48 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.2 -66.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 t -53.7 -49.07 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 1.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 86' ' ' VAL . 44.6 m170 -49.26 -59.8 3.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.781 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -46.27 -38.12 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -73.99 -32.68 63.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.6 t -64.77 -59.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 1.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.9 m -53.87 -21.94 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.98 -33.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.74 -42.56 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' VAL . 10.4 mmmt -112.98 93.39 24.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.83 8.47 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 1.0 109.572 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -3.64 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.279 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.06 4.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.832 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -61.93 -27.61 68.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -90.79 16.34 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.42 -44.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.465 ' CD1' ' CG1' ' A' ' 86' ' ' VAL . 36.1 mt -78.55 -40.71 34.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 94' ' ' LYS . 30.9 p -118.05 -17.76 9.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -35.74 128.52 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 1.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.3 m -84.73 -51.37 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.58 134.11 50.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.4 49.14 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 3.9 p -114.33 165.83 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -57.84 -19.85 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.0 109.257 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -94.95 -72.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 1.0 108.327 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 97.5 m-70 -85.38 110.4 28.87 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 19.2 Cg_exo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 122.087 0.946 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.56 171.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.293 3.329 . . . . 1.0 109.622 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.33 126.79 32.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -54.47 129.23 61.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.633 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 50.6 Cg_exo -57.15 149.74 61.52 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.338 3.359 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.54 -73.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 125.43 59.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -35.28 118.67 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 19' ' ' MET . 29.8 m -92.01 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -102.54 144.37 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.594 ' O ' HG12 ' A' ' 11' ' ' VAL . 76.7 t -112.03 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -43.46 144.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.02 -128.18 2.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 1.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 p -71.89 -55.94 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 1.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.32 26.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -135.4 157.13 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -129.13 125.62 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 121.22 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 mmt -75.45 151.28 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.5 t80 -138.75 115.26 8.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 40.6 Cg_endo -83.48 131.79 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.315 3.343 . . . . 1.0 109.627 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.633 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.9 m80 -87.83 -38.11 15.97 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.077 0.861 . . . . 1.0 109.747 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.53 -65.56 0.6 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 82.7 Cg_exo -38.46 -50.62 2.3 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.316 3.344 . . . . 1.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -89.02 50.94 2.04 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.178 0.924 . . . . 1.0 109.795 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -89.21 -28.43 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -39.99 28.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 77.1 t -52.71 129.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 7.4 mt-10 -45.88 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.92 -0.57 36.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 1.0 108.209 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.91 0.43 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.3 m -78.72 -43.66 25.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 1.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.24 -61.19 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 108.362 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.57 74.26 1.47 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.795 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -67.1 134.79 52.51 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.19 0.931 . . . . 1.0 109.773 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.6 mt -47.4 146.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.2 t -98.73 87.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 63.28 43.5 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.7 31.64 70.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 1.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -138.21 120.69 16.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 1.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.68 134.97 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -152.25 164.99 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.0 110.007 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 70.4 m-85 -158.19 35.04 0.24 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.878 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.04 175.77 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 161.73 6.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.629 ' O ' HD13 ' A' ' 64' ' ' LEU . 42.4 m -87.76 29.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 1.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.44 55.9 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 1.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -101.84 145.57 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 1.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' SER . 59.9 p -37.94 124.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.26 -37.54 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 1.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -90.76 -145.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.002 . . . . 1.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.872 ' CE1' HG11 ' A' ' 67' ' ' VAL . 34.4 m-70 -65.35 59.56 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.723 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -70.52 -41.45 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 14.1 t0 -68.66 119.77 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 1.04 13.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.6 m -100.42 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.05 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -83.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.84 168.28 20.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.42 137.59 5.55 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -5.61 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 1.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.62 6.92 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -97.25 140.48 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.947 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 46' ' ' CYS . 55.2 tp -83.99 -22.44 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -77.2 -41.62 40.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.846 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.612 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.4 t80 -67.8 -4.28 12.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.932 -0.556 . . . . 1.0 109.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.872 HG11 ' CE1' ' A' ' 52' ' ' HIS . 6.0 m -116.07 29.06 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.6 t -143.84 -50.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HA ' HD22 ' A' ' 80' ' ' LEU . 3.5 m80 -104.05 28.71 6.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.786 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.55 90.93 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -88.16 -17.15 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.2 -156.87 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 1.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.44 135.41 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.571 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 3.9 mt -143.31 -170.22 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -91.35 -23.33 20.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -127.53 -169.51 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 m -103.71 121.41 42.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 49.4 m -85.03 168.53 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 1.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.429 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -67.59 -67.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 108.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 68' ' ' VAL . 6.2 mp -44.98 -25.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -69.92 -50.98 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 37.3 t -93.61 31.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 108.297 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 2.4 m170 -131.67 -51.47 0.99 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.735 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.4 ' HA ' HG21 ' A' ' 98' ' ' THR . 22.3 p -67.84 -25.29 65.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.024 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mptp? -90.76 -33.33 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.71 -44.14 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 94' ' ' LYS . 27.4 m -60.26 -22.47 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.34 -34.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.78 -41.85 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -122.48 86.14 48.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.91 1.94 4.07 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.341 3.361 . . . . 1.0 109.62 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -3.75 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 1.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.58 0.63 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 1.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -55.38 -25.74 37.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.444 ' CE ' ' O ' ' A' ' 101' ' ' ALA . 10.4 tptm -99.71 38.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 1.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.38 -50.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.2 -37.6 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.237 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -111.29 -49.47 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 1.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -19.72 128.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 1.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 9.5 m -83.1 -53.49 5.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.444 ' O ' ' CE ' ' A' ' 95' ' ' LYS . . . -95.41 137.91 33.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.75 57.64 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.7 p -124.71 165.4 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 1.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.1 mmmt -58.92 -28.92 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -77.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 94.7 m-70 -82.03 141.69 47.27 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.739 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.308 3.339 . . . . 1.0 109.581 179.889 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.441 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 9.7 Cg_endo -48.77 168.22 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.293 3.329 . . . . 1.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 132.99 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -62.36 125.99 86.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PRO . . . . . 0.524 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 72.8 Cg_exo -53.23 138.68 63.95 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.302 3.334 . . . . 1.0 109.613 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.8 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -67.72 131.46 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.3 140.71 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.248 3.298 . . . . 1.0 109.566 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.46 141.44 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 17' ' ' THR . 3.0 mm-40 -90.42 135.2 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.522 ' O ' HG12 ' A' ' 11' ' ' VAL . 94.8 t -102.89 63.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -40.68 143.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.81 -123.4 2.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 1.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -85.85 -54.9 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 1.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.78 36.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -155.52 160.78 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.587 HG23 ' HB3' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -131.04 121.87 25.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 110.411 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.69 115.05 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -64.67 148.98 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -138.43 109.46 8.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.619 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 Cg_endo -81.34 124.54 4.81 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.309 3.34 . . . . 1.0 109.576 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -79.27 -37.97 36.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.129 0.893 . . . . 1.0 109.744 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.2 -69.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 1.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.967 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.4 Cg_exo -33.99 -39.37 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.251 3.301 . . . . 1.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 53.7 m80 -100.31 54.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.131 0.894 . . . . 1.0 109.758 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.4 mm-40 -91.71 -33.36 15.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 1.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.0 -31.47 44.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' GLU . 63.8 t -59.89 128.27 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -46.45 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 1.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.75 -2.94 29.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.313 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.01 -2.6 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -77.27 -39.31 48.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 16.7 m -99.07 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.57 76.26 3.27 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.722 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 9.7 p80 -61.96 148.2 44.51 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.19 0.931 . . . . 1.0 109.808 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -66.09 150.98 47.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.24 103.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 55.05 45.89 25.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.04 32.06 82.91 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 1.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 133.11 36.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.21 134.27 56.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.12 163.04 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 55.1 m-85 -159.2 37.68 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.809 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.4 178.79 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -62.61 144.18 56.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 57.6 m -64.0 -34.86 78.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.29 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -106.39 54.76 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 1.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' SER . 12.2 m -93.21 144.29 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 1.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -38.18 123.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 109.971 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.67 3.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.4 m -85.48 -144.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.998 . . . . 1.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.435 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 31.9 m-70 -65.39 58.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.781 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -69.26 -46.52 67.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.4 t0 -66.56 119.7 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 1.16 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 m -99.32 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 1.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.542 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.29 150.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.25 167.3 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.33 6.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 1.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -71.32 -7.59 48.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 15.43 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -107.25 133.89 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 tp -77.59 -21.18 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -78.03 -40.7 37.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 12.4 t80 -61.15 -11.19 8.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -124.47 57.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 67' ' ' VAL . 5.2 t -163.39 -48.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.683 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.6 m80 -111.97 25.22 11.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.773 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -93.02 118.63 31.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -110.29 6.95 22.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.53 -155.43 31.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.162 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.17 139.57 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 1.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.9 -169.53 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 21.7 mmtt -80.36 -18.9 47.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 26.9 m80 -143.29 -171.93 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -96.49 129.99 43.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.85 170.98 10.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.445 ' C ' ' N ' ' A' ' 81' ' ' ALA . 3.1 m -69.88 -67.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 1.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -46.98 -23.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.38 -50.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' CYS . . . . . 0.466 ' O ' ' CG2' ' A' ' 86' ' ' VAL . 42.5 t -92.59 36.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.602 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.1 m170 -133.7 -64.16 0.72 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.752 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -55.44 -19.63 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.994 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -96.29 -38.86 9.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 19.9 t -51.57 -38.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 94' ' ' LYS . 15.5 m -63.93 -22.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.02 -39.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.25 -25.47 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.805 ' HD3' HD12 ' A' ' 93' ' ' LEU . 13.5 ptpt -126.79 85.99 59.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.23 8.79 3.08 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.244 3.296 . . . . 1.0 109.609 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 0.24 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.805 HD12 ' HD3' ' A' ' 90' ' ' LYS . 88.6 mt -122.74 7.1 9.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.925 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -58.03 -31.93 67.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.88 19.06 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-20 -130.57 -43.4 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.602 HD13 ' CE1' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -106.57 51.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.26 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -52.08 132.54 37.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.53 -52.32 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.04 131.77 52.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 66.54 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.5 p -127.05 164.34 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -56.03 -27.68 54.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 109.325 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.9 m -85.71 -68.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -88.28 112.45 49.75 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.303 3.335 . . . . 1.0 109.59 179.859 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 122.063 0.935 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 6.7 Cg_endo -46.76 174.1 0.02 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.366 3.377 . . . . 1.0 109.584 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.85 134.66 33.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.6 p -52.51 124.18 32.23 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.123 . . . . 1.0 109.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.698 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.2 Cg_exo -56.36 138.91 85.54 Favored 'Trans proline' 0 N--CA 1.448 -1.202 0 C-N-CA 124.253 3.302 . . . . 1.0 109.632 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.02 -65.28 0.99 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 1.0 109.267 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.21 130.13 93.7 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 1.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -42.65 140.87 2.63 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.315 3.343 . . . . 1.0 109.628 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.4 m -107.84 140.48 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 1.0 109.344 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.415 ' OE1' HG21 ' A' ' 17' ' ' THR . 2.3 mm-40 -83.96 136.68 33.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 1.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' ' 11' ' ' VAL . 95.9 t -107.92 56.71 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 1.0 109.268 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -41.56 140.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 1.0 109.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.79 -125.17 2.56 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.532 1.145 . . . . 1.0 111.021 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.0 p -70.47 -57.58 4.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 0.763 . . . . 1.0 109.973 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -158.36 25.88 0.24 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 1.0 110.321 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -134.14 157.22 46.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 1.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.415 HG21 ' OE1' ' A' ' 10' ' ' GLU . 21.9 m -127.52 114.02 16.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 1.0 110.398 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.8 t -110.41 108.17 24.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 1.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 10.6 ptt? -68.61 140.4 55.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 1.0 111.023 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -128.71 120.68 20.72 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 1.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.571 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.7 Cg_endo -86.64 135.84 4.32 Favored 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.332 3.355 . . . . 1.0 109.632 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.698 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.3 m80 -88.21 -37.33 16.2 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 124.161 0.913 . . . . 1.0 109.735 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.34 -69.85 0.2 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.313 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.7 Cg_exo -38.97 -41.08 1.69 Allowed 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.289 3.326 . . . . 1.0 109.644 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.581 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 49.6 m80 -100.68 43.13 1.07 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.146 0.904 . . . . 1.0 109.775 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.89 -27.12 20.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 1.0 110.289 179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 mtpm? -83.24 -37.52 23.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 1.0 109.336 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 75.3 t -64.97 126.26 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -51.81 151.13 3.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 110.335 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.473 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.7 m -74.89 -28.05 60.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 1.0 108.275 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -67.41 -23.38 30.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 1.0 109.321 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.5 m -65.41 -44.75 86.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 1.0 110.37 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.1 m -94.21 -56.91 2.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 108.301 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.473 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.08 72.71 5.63 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.721 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 17.2 p80 -61.2 145.32 51.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 124.156 0.91 . . . . 1.0 109.756 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.82 149.25 31.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 1.0 109.314 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.551 HG21 HBC2 ' A' ' 251' ' ' HEM . 1.6 t -107.38 115.0 47.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 1.0 109.288 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 49.71 37.58 13.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 1.0 109.301 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 68.73 34.17 77.39 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.501 1.126 . . . . 1.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.14 147.6 42.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 0.73 . . . . 1.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -68.35 135.6 52.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 1.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.618 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -148.04 166.06 28.9 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 1.0 110.0 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.618 ' CD1' ' O ' ' A' ' 42' ' ' SER . 69.5 m-85 -160.68 34.35 0.16 Allowed 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.843 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.0 178.1 7.69 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.093 . . . . 1.0 109.306 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.502 ' O ' HMC1 ' A' ' 251' ' ' HEM . 13.5 mttt -61.66 144.71 54.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 1.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.4 m -61.08 -31.87 71.53 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 1.0 108.269 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -115.23 58.72 0.44 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.448 1.092 . . . . 1.0 111.014 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.2 m -90.74 143.78 26.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 0.785 . . . . 1.0 109.993 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.1 m -39.1 114.1 0.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 1.0 110.03 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 112.79 -41.76 2.14 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.48 1.112 . . . . 1.0 110.971 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 53' ' ' ASP . 4.2 m -85.89 -142.53 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.682 ' CE1' HG11 ' A' ' 67' ' ' VAL . 41.6 m-70 -66.22 58.83 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.73 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.13 -44.67 52.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 1.0 109.268 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 42.3 t0 -61.54 119.27 8.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 1.0 109.283 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.94 0.67 15.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.54 1.15 . . . . 1.0 109.367 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 20.5 m -98.41 -60.37 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 110.419 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -47.68 146.88 2.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 1.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.08 -67.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 1.0 109.273 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.37 153.75 24.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 109.326 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.14 142.8 5.65 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.522 1.139 . . . . 1.0 110.969 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -75.85 -1.54 25.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -111.58 9.99 21.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 1.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.544 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -100.89 126.17 47.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 1.0 110.044 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 40.4 tp -68.14 -16.0 63.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 1.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -83.4 -43.33 16.0 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.005 -0.998 . . . . 1.0 109.834 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.528 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 9.6 t80 -61.25 -16.32 44.17 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-O 118.893 -0.575 . . . . 1.0 109.839 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.763 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -109.82 46.06 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 1.0 109.328 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 67' ' ' VAL . 12.3 t -161.79 -49.34 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.447 1.092 . . . . 1.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.529 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -108.34 36.48 2.8 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.738 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -112.92 95.42 5.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 1.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -90.58 -15.42 30.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 1.0 110.281 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.85 -157.97 0.47 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.476 1.11 . . . . 1.0 111.038 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -85.81 136.05 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 0.766 . . . . 1.0 110.325 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.495 HD12 ' OG ' ' A' ' 78' ' ' SER . 5.9 mt -143.6 -171.2 3.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 1.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.5 mmtm -93.21 -28.37 16.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 1.0 109.263 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 57.7 m-70 -122.23 -171.99 2.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 1.0 109.594 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -99.05 125.15 44.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 1.0 110.417 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -85.5 165.23 17.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 1.0 110.0 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.414 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.7 m -71.24 -65.27 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 108.347 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.488 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.8 mm? -48.61 -29.84 4.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 1.0 109.323 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.87 -70.0 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 1.0 109.28 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.443 ' O ' ' N ' ' A' ' 85' ' ' LYS . 52.7 t -47.16 -61.59 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 1.0 108.262 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.709 ' O ' HG22 ' A' ' 87' ' ' VAL . 40.3 m170 -37.76 -52.53 1.28 Allowed 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.772 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.0 t -53.12 -46.32 68.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 1.0 110.003 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.719 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -68.79 -33.97 74.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 1.0 109.281 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.5 t -65.9 -63.4 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 83' ' ' HIS . 17.0 m -52.47 -20.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.719 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.3 -34.19 1.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 1.0 109.344 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -91.15 -35.51 14.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -122.93 85.74 50.53 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo -73.07 6.66 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.305 3.337 . . . . 1.0 109.574 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.06 -5.95 36.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 110.318 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 93' ' ' LEU . 28.6 mt -109.98 -0.55 18.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 1.15 . . . . 1.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -56.24 -28.4 58.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 1.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.79 4.26 14.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 1.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.666 ' C ' HD23 ' A' ' 97' ' ' LEU . 1.4 m-20 -126.51 -43.74 1.73 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 1.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -103.99 50.25 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 1.0 109.254 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.551 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 161.99 -27.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 1.0 110.417 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.07 129.13 31.43 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.989 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 42.8 m -77.87 -50.21 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 134.52 50.44 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 1.0 109.264 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.29 56.3 1.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 1.0 109.296 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.446 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.5 p -124.72 164.32 20.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 1.0 109.977 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -19.13 27.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -93.86 -70.7 0.69 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 1.0 108.307 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -88.0 112.53 49.82 Favored Pre-proline 0 CA--C 1.54 0.576 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.751 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo . . . . . 0 N--CA 1.447 -1.216 0 C-N-CA 124.283 3.322 . . . . 1.0 109.57 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.581 HBC2 ' HB3' ' A' ' 25' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.705 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.624 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.822 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 122.085 0.945 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -49.0 168.9 0.1 Allowed 'Trans proline' 0 N--CA 1.448 -1.185 0 C-N-CA 124.323 3.348 . . . . 1.0 109.591 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.74 135.55 33.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 1.0 109.341 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.3 p -57.36 122.35 54.22 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.437 1.086 . . . . 1.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.55 ' HD3' ' CHB' ' A' ' 233' ' ' HEM . 75.4 Cg_exo -52.52 137.04 57.82 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.315 3.343 . . . . 1.0 109.585 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.52 -65.14 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 1.0 109.327 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.53 139.6 86.65 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 1.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -43.0 144.9 1.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.295 3.33 . . . . 1.0 109.616 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -113.29 142.99 23.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 1.0 109.254 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 4.1 pt-20 -86.33 132.82 33.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 1.0 110.319 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 11' ' ' VAL . 59.8 t -104.77 64.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -47.06 142.62 3.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 1.0 109.297 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -126.67 -110.8 1.7 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.497 1.123 . . . . 1.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.31 -48.83 4.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 0.807 . . . . 1.0 110.005 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -154.33 29.45 0.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 1.0 110.259 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.2 mtmt -149.43 151.71 34.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.156 . . . . 1.0 109.29 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 9.9 m -125.43 120.22 30.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 1.0 110.442 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 t -115.1 116.28 52.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 1.0 109.333 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmm -70.0 150.05 47.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.488 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 61.6 t80 -137.86 117.84 10.16 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 1.0 111.006 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.774 ' HG3' HBA1 ' A' ' 282' ' ' HEM . 35.2 Cg_endo -83.8 124.41 3.47 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.297 3.331 . . . . 1.0 109.588 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.421 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -81.2 -36.98 29.4 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.14 0.9 . . . . 1.0 109.747 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.031 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.47 -67.79 0.32 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 1.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.031 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.3 Cg_exo -39.73 -43.44 3.2 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 124.343 3.362 . . . . 1.0 109.598 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.548 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 58.5 m80 -96.1 45.02 1.07 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.151 0.907 . . . . 1.0 109.763 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ALA . 13.9 tm-20 -89.3 -26.39 21.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 1.0 110.33 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 mptt -83.33 -43.49 15.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 1.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.448 HG13 HG21 ' A' ' 32' ' ' THR . 79.8 t -48.96 127.53 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.45 1.094 . . . . 1.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' OE1' HG12 ' A' ' 31' ' ' VAL . 1.0 OUTLIER -42.29 165.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.537 1.148 . . . . 1.0 110.323 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' N ' ' OE1' ' A' ' 29' ' ' GLU . 1.2 t -89.65 -24.86 21.52 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 1.147 . . . . 1.0 108.287 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG12 ' OE1' ' A' ' 29' ' ' GLU . 9.9 p -90.42 1.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 1.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.448 HG21 HG13 ' A' ' 28' ' ' VAL . 42.2 m -77.66 -44.74 27.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 110.38 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 13.4 m -97.71 -58.72 1.93 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.133 . . . . 1.0 108.267 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -76.89 67.98 3.01 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.747 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.599 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.6 p80 -56.71 152.39 12.33 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.164 0.915 . . . . 1.0 109.762 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 mt -66.35 147.9 52.64 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 1.0 109.287 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.3 t -106.07 98.26 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 1.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 60.84 35.61 19.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 1.0 109.294 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.16 33.02 65.17 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.522 1.139 . . . . 1.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.84 120.42 15.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 0.738 . . . . 1.0 109.309 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -46.55 136.8 7.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 1.0 110.348 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.11 165.14 33.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 1.0 109.991 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 73.1 m-85 -160.86 33.88 0.15 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.925 -1.034 . . . . 1.0 109.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.44 -177.73 6.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 1.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.21 138.21 58.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 1.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 72.3 m -55.85 -32.39 63.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.158 . . . . 1.0 108.34 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.83 57.45 0.44 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.551 1.157 . . . . 1.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 16.2 m -91.1 144.07 26.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 0.756 . . . . 1.0 109.948 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 49.4 m -38.1 119.38 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 1.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.37 -42.38 1.93 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 1.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.409 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.2 m -84.27 -143.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.255 -1.017 . . . . 1.0 108.255 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.888 ' CE1' HG11 ' A' ' 67' ' ' VAL . 30.3 m-70 -65.71 57.62 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.777 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -72.1 -40.91 67.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 1.0 109.309 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.657 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 5.6 t70 -64.16 117.76 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 1.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.18 1.56 15.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 1.0 109.319 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 93.8 m -98.88 -63.49 1.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.14 . . . . 1.0 110.386 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.657 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -44.52 155.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 1.0 109.275 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.84 -38.1 8.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 1.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.5 mttt -109.54 152.52 25.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 1.0 109.337 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 128.0 139.66 4.88 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.517 1.136 . . . . 1.0 111.0 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -69.87 -6.49 33.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 0.757 . . . . 1.0 110.3 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.02 12.6 26.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -99.92 138.47 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 1.0 110.04 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 57.0 tp -80.17 -28.94 38.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.564 1.165 . . . . 1.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.412 ' HE2' ' C4A' ' A' ' 305' ' ' HEM . 41.3 t80 -72.65 -44.26 62.1 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.009 -0.996 . . . . 1.0 109.879 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.733 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.2 t80 -60.58 -15.93 32.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.939 -0.553 . . . . 1.0 109.848 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.888 HG11 ' CE1' ' A' ' 52' ' ' HIS . 16.6 m -107.65 40.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 1.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.506 ' O ' HD13 ' A' ' 80' ' ' LEU . 15.2 t -154.09 -50.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 1.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.477 ' CE1' HG12 ' A' ' 68' ' ' VAL . 1.3 m80 -105.71 37.47 2.23 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.796 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.733 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.86 101.52 11.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.337 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -93.16 -6.72 47.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 110.28 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -81.11 -160.56 24.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.56 1.162 . . . . 1.0 110.977 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 73' ' ' GLU . 1.3 pm0 -94.82 138.37 32.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 1.0 110.244 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.579 HD11 ' HB1' ' A' ' 70' ' ' ALA . 1.4 mt -140.98 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 1.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.3 mmmt -87.7 -24.14 23.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 1.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.599 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 51.0 m-70 -128.24 -173.02 2.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.56 1.162 . . . . 1.0 109.542 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.33 126.93 46.72 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 1.0 110.453 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 64.0 m -87.08 171.34 10.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 1.0 109.981 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.443 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.0 OUTLIER -70.96 -72.57 0.2 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 1.0 108.338 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.506 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.1 mp -39.9 -31.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 1.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -63.12 -69.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.11 . . . . 1.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.439 ' O ' ' N ' ' A' ' 85' ' ' LYS . 54.1 t -50.8 -62.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 1.0 108.29 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.613 ' O ' HG22 ' A' ' 87' ' ' VAL . 32.3 m170 -36.1 -51.94 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 115.014 -0.993 . . . . 1.0 109.773 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -53.67 -49.8 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 1.0 109.998 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.522 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.7 mtpm? -64.91 -28.9 69.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 1.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 52.8 t -73.43 -66.38 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.095 . . . . 1.0 109.305 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.613 HG22 ' O ' ' A' ' 83' ' ' HIS . 29.6 m -50.56 -22.58 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 1.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.7 -35.98 2.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -89.77 -36.68 15.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -122.92 85.3 50.4 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 1.0 109.276 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_exo -72.16 4.68 3.12 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.3 3.333 . . . . 1.0 109.566 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.74 -9.4 49.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.256 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.2 mt -107.99 -1.16 20.82 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 1.0 109.325 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -54.84 -27.79 44.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 1.0 109.318 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.6 7.3 15.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 1.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.452 ' C ' HD22 ' A' ' 97' ' ' LEU . 75.1 m-20 -129.09 -44.46 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.165 . . . . 1.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.818 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -101.33 45.54 0.97 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.507 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 165.15 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.397 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -48.42 130.89 20.79 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.477 1.111 . . . . 1.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.409 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.5 m -79.82 -48.67 13.16 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.301 -1.0 . . . . 1.0 108.301 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.28 136.29 49.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt 65.8 48.22 1.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.423 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 13.9 p -117.54 166.12 12.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.969 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.414 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 0.4 OUTLIER -61.98 -18.9 61.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.428 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 60.1 m -93.67 -70.19 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 1.0 108.313 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 93.7 m-70 -91.72 110.38 43.09 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-N 115.052 -0.976 . . . . 1.0 109.752 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 31.7 Cg_exo . . . . . 0 N--CA 1.448 -1.199 0 C-N-CA 124.341 3.36 . . . . 1.0 109.549 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.55 ' CHB' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.514 HBA2 HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.818 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.412 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 122.094 0.949 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.6 Cg_endo -50.52 170.76 0.12 Allowed 'Trans proline' 0 N--CA 1.448 -1.199 0 C-N-CA 124.292 3.328 . . . . 1.0 109.615 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.5 129.42 34.85 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 1.0 109.328 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.415 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.5 p -55.52 127.51 66.2 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 1.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.732 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.6 Cg_exo -54.17 137.28 70.19 Favored 'Trans proline' 0 N--CA 1.446 -1.274 0 C-N-CA 124.295 3.33 . . . . 1.0 109.61 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -100.5 -59.8 1.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 1.0 109.315 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 17.3 mmtt -75.61 140.99 72.07 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.1 . . . . 1.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 7' ' ' LYS . 75.2 Cg_exo -44.97 148.35 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.215 0 C-N-CA 124.286 3.324 . . . . 1.0 109.621 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.05 140.81 39.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 1.0 109.311 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.9 mm-40 -84.08 143.31 29.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 1.0 110.319 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.473 ' O ' HG12 ' A' ' 11' ' ' VAL . 87.0 t -114.63 63.86 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 1.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 10.4 mmtt -40.44 141.72 0.49 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 1.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -137.73 -134.58 3.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 1.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.13 -54.82 24.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 0.742 . . . . 1.0 109.986 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.45 27.11 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 1.0 110.276 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -135.66 159.88 40.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 1.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.55 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.8 m -129.41 109.57 11.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 110.458 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 53.3 t -104.62 117.78 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 1.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.0 mmm -71.0 148.57 47.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 110.992 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -139.57 114.63 8.08 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 1.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.593 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 59.9 Cg_endo -83.29 132.92 6.18 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 124.289 3.326 . . . . 1.0 109.586 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.732 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.4 m80 -85.1 -36.1 21.36 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.173 0.921 . . . . 1.0 109.735 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.989 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.24 -71.43 0.15 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 1.0 109.272 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.989 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 74.5 Cg_exo -36.47 -44.57 0.99 Allowed 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.286 3.324 . . . . 1.0 109.612 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 67.2 m80 -95.64 47.22 1.11 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.12 0.887 . . . . 1.0 109.723 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -90.36 -27.38 19.4 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 1.0 110.33 179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -36.35 35.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.531 1.144 . . . . 1.0 109.293 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 HG13 HG21 ' A' ' 32' ' ' THR . 81.9 t -69.53 117.33 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 1.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.506 ' O ' HMC1 ' A' ' 233' ' ' HEM . 7.0 mm-40 -47.97 165.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -82.15 -30.91 30.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 1.0 108.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.66 -25.8 35.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 1.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.429 HG21 HG13 ' A' ' 28' ' ' VAL . 10.3 m -63.61 -42.67 98.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 1.0 110.441 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 29.8 m -97.31 -58.48 2.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 1.0 108.345 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.3 m-70 -77.12 71.09 3.59 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 115.025 -0.988 . . . . 1.0 109.729 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.505 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 12.2 p80 -59.1 143.27 49.17 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 124.086 0.866 . . . . 1.0 109.752 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.1 mt -59.54 146.65 39.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 1.0 109.283 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG21 HBC2 ' A' ' 251' ' ' HEM . 3.7 t -106.1 114.59 45.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 1.0 109.275 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.73 31.04 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 1.0 109.348 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 73.12 32.74 60.1 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 1.0 111.031 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.4 pttt -139.35 137.82 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.77 . . . . 1.0 109.286 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -54.76 135.1 47.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 1.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.638 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -147.25 160.28 42.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 1.0 110.005 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.638 ' CD1' ' O ' ' A' ' 42' ' ' SER . 59.2 m-85 -159.17 33.16 0.2 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.818 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.88 178.72 8.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 1.0 109.267 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -62.14 134.58 56.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 1.0 109.319 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 97.7 m -51.24 -33.2 27.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 1.0 108.277 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -114.31 58.47 0.43 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 1.0 110.994 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.8 m -89.23 143.02 27.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 0.767 . . . . 1.0 109.999 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' SER . 51.1 m -37.53 112.73 0.22 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 1.0 110.029 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 114.1 -45.71 1.27 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.49 1.119 . . . . 1.0 111.021 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -81.9 -142.55 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.312 -0.995 . . . . 1.0 108.312 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.856 ' CE1' HG11 ' A' ' 67' ' ' VAL . 32.6 m-70 -66.41 57.33 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.746 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -77.58 -38.63 47.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 1.0 109.29 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.681 ' OD2' ' HB3' ' A' ' 57' ' ' ALA . 14.2 t70 -59.66 124.3 19.68 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 1.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 1.5 mt -120.21 8.96 10.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.287 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -108.55 -57.46 2.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 1.0 110.392 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.681 ' HB3' ' OD2' ' A' ' 54' ' ' ASP . . . -49.61 141.93 8.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 1.0 109.343 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -52.59 7.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.97 169.5 8.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 117.4 144.7 7.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.477 1.111 . . . . 1.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -75.54 -3.51 34.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 0.763 . . . . 1.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 8.17 33.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.435 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -98.62 139.24 34.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 1.0 110.029 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 58.6 tp -84.25 -17.45 39.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.541 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 21.4 t80 -83.49 -43.03 16.22 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.83 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.588 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 34.5 t80 -67.33 -4.46 10.9 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 118.952 -0.546 . . . . 1.0 109.862 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.856 HG11 ' CE1' ' A' ' 52' ' ' HIS . 11.0 m -113.85 35.41 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' A' ' 67' ' ' VAL . 94.4 t -158.11 -47.85 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 1.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.541 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.1 m80 -99.63 20.55 13.8 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.814 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.588 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -97.44 103.73 15.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 1.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.67 -8.86 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 1.0 110.266 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.86 -158.66 3.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 1.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.43 136.57 32.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 1.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.554 HD22 HBA2 ' A' ' 251' ' ' HEM . 3.4 mt -142.02 -169.81 3.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.137 . . . . 1.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -88.12 -35.61 17.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 1.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.505 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 87.3 m-70 -118.45 -169.96 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 1.0 109.598 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -98.88 130.57 45.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.55 1.156 . . . . 1.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.03 172.96 9.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.117 . . . . 1.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.527 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.3 m -77.43 -67.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 1.0 108.288 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.12 -22.4 2.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.145 . . . . 1.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.31 -65.4 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.411 ' HB2' HMC2 ' A' ' 282' ' ' HEM . 42.6 t -50.56 -57.22 8.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 1.123 . . . . 1.0 108.323 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.477 ' O ' HG22 ' A' ' 87' ' ' VAL . 54.7 m170 -39.12 -55.75 1.57 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.757 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -49.06 -50.07 38.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 1.0 110.049 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.543 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 14.5 mttt -63.43 -31.31 72.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 1.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.4 ' C ' ' N ' ' A' ' 88' ' ' ALA . 75.0 t -72.5 -66.09 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.244 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 83' ' ' HIS . 33.1 m -49.9 -22.83 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 1.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.87 -34.56 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 1.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -90.52 -37.43 13.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.284 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.92 85.83 50.47 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.137 . . . . 1.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.69 4.96 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.348 3.365 . . . . 1.0 109.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.34 -10.45 44.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 1.0 110.262 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 48.3 mt -106.9 -1.06 22.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.153 . . . . 1.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -54.53 -30.33 53.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 1.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.68 4.99 12.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 1.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -127.31 -44.3 1.58 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 1.0 109.335 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.633 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -99.54 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.544 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 162.53 -27.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 110.41 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 94' ' ' LYS . . . -45.14 127.61 7.75 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.556 1.16 . . . . 1.0 111.022 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 54.1 m -76.93 -48.46 18.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.312 -0.996 . . . . 1.0 108.312 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.94 137.27 48.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt 63.33 53.28 2.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 1.0 109.352 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 8.5 p -119.48 166.25 13.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 1.0 109.983 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -16.24 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 1.0 109.255 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 11.6 m -100.14 -72.95 0.65 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 1.0 108.241 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -79.29 114.07 41.82 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.77 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_endo . . . . . 0 N--CA 1.446 -1.267 0 C-N-CA 124.321 3.347 . . . . 1.0 109.636 179.841 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.56 HBC2 ' HB3' ' A' ' 25' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.554 HBA2 HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.633 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.408 ' C4A' ' HE2' ' A' ' 65' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.406 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.103 0.954 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.74 171.05 0.17 Allowed 'Trans proline' 0 N--CA 1.448 -1.201 0 C-N-CA 124.314 3.342 . . . . 1.0 109.584 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.04 136.72 35.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.321 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -59.14 123.3 68.92 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 1.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.7 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.2 Cg_exo -54.3 142.54 68.22 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.309 3.339 . . . . 1.0 109.593 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.28 -67.25 0.98 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.556 1.16 . . . . 1.0 109.287 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.66 127.42 92.43 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -36.82 141.36 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.322 3.348 . . . . 1.0 109.605 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.4 m -110.73 140.23 30.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 1.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.32 132.58 38.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 110.255 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.808 HG22 ' O2D' ' A' ' 233' ' ' HEM . 60.9 t -102.22 74.86 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 1.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.6 mttt -46.9 152.42 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 1.0 109.283 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.84 -136.71 3.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.52 1.138 . . . . 1.0 110.992 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.8 t -88.86 -30.81 18.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.75 . . . . 1.0 109.981 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -169.88 31.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 110.299 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.31 161.73 40.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 1.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 m -132.92 140.63 47.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 1.0 110.41 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 t -134.28 114.57 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.263 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.8 mmm -69.1 151.69 46.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 1.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 36.7 t80 -140.65 113.5 7.17 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 110.976 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.539 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 57.2 Cg_endo -83.5 131.72 5.64 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.345 3.363 . . . . 1.0 109.567 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.7 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.9 m80 -84.77 -35.74 22.2 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.102 0.876 . . . . 1.0 109.805 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.53 -71.15 0.16 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 1.0 109.304 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 53.6 Cg_exo -38.67 -40.2 1.35 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.331 3.354 . . . . 1.0 109.543 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.459 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 30.0 m80 -101.99 45.76 0.95 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.163 0.914 . . . . 1.0 109.81 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -89.91 -26.36 20.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 1.0 110.284 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.83 -38.72 22.64 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 1.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -65.1 116.41 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 1.0 109.317 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.603 ' O ' HMC1 ' A' ' 233' ' ' HEM . 0.7 OUTLIER -44.17 166.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 1.0 110.243 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' HIS . 0.7 OUTLIER -88.72 -24.09 22.78 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 1.0 108.274 -179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.29 -21.32 21.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.127 . . . . 1.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 19.2 m -70.81 -35.21 72.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.462 1.101 . . . . 1.0 110.396 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.3 m -103.6 -58.12 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 1.0 108.294 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.6 m-70 -79.76 71.0 6.39 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.762 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.6 p80 -56.96 156.6 6.61 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 124.133 0.895 . . . . 1.0 109.775 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.8 mt -72.13 146.5 47.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -109.78 107.7 23.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 1.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 57.65 48.47 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 1.0 109.273 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.33 33.55 61.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.503 1.127 . . . . 1.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt -135.37 154.56 51.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 1.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.66 137.18 40.53 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 1.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.639 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -150.47 160.34 43.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 1.0 110.006 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.639 ' CD1' ' O ' ' A' ' 42' ' ' SER . 57.4 m-85 -157.67 42.21 0.31 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.98 -1.009 . . . . 1.0 109.775 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.8 176.14 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.57 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.5 OUTLIER -53.75 165.46 0.43 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 1.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 63.7 m -91.47 19.26 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 1.0 108.297 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -162.55 61.09 0.27 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.549 1.156 . . . . 1.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.1 m -104.89 147.9 27.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 0.769 . . . . 1.0 110.03 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 70.9 m -37.19 128.32 0.97 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 1.0 109.985 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.54 -36.54 3.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.488 1.117 . . . . 1.0 111.057 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.551 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 1.8 m -94.67 -146.53 0.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.651 ' CE1' HG11 ' A' ' 67' ' ' VAL . 17.2 m-70 -64.89 62.25 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.749 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -72.11 -48.72 41.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 1.0 109.317 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 24.1 t0 -56.78 122.41 12.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 1.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -113.18 0.22 14.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 56.4 m -101.13 -60.53 1.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 1.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.495 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -43.64 142.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 1.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 1.0 109.274 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.99 150.93 23.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.03 147.34 6.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 1.0 111.012 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.474 ' HB2' ' CBD' ' A' ' 251' ' ' HEM . 1.7 pt-20 -82.16 9.85 7.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 1.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.54 15.19 9.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 1.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.512 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -107.96 131.47 54.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 110.04 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 46' ' ' CYS . 38.2 tp -70.92 -11.61 61.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 1.0 109.254 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -87.05 -40.86 14.31 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.839 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -65.72 -6.94 13.08 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-O 118.876 -0.583 . . . . 1.0 109.803 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.822 ' O ' HG23 ' A' ' 68' ' ' VAL . 2.6 m -115.57 46.35 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 1.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.895 ' O ' HD13 ' A' ' 80' ' ' LEU . 6.7 t -163.58 -48.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 1.0 109.321 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.57 ' HA ' HD22 ' A' ' 80' ' ' LEU . 1.1 m80 -109.82 36.7 2.89 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.768 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -113.87 95.06 5.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 1.0 109.307 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.48 -14.98 31.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 1.0 110.281 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -61.93 -156.37 0.07 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.49 1.119 . . . . 1.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.66 134.94 34.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.582 0.813 . . . . 1.0 110.249 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.0 mt -143.2 -174.71 4.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.316 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 -21.82 21.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 1.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.642 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 43.1 m-70 -126.08 -173.11 2.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 1.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -103.04 126.27 50.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.435 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.552 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 45.0 m -88.77 167.87 12.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 1.0 110.047 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.433 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.3 m -66.71 -65.4 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 1.0 108.314 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.895 HD13 ' O ' ' A' ' 68' ' ' VAL . 5.5 mp -46.1 -23.7 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 1.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.552 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -72.0 -51.36 22.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.571 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 35.0 t -92.79 29.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 1.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.641 ' O ' HG13 ' A' ' 87' ' ' VAL . 3.7 m170 -128.63 -57.13 1.2 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 114.949 -1.023 . . . . 1.0 109.754 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.465 ' O ' HG22 ' A' ' 87' ' ' VAL . 78.3 p -67.65 -23.3 65.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.158 . . . . 1.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.515 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 1.3 mtpp -91.26 -32.76 15.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.562 1.164 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.15 -43.7 98.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 1.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.641 HG13 ' O ' ' A' ' 83' ' ' HIS . 21.1 m -58.16 -23.22 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 1.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.515 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -42.55 -36.22 1.3 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.407 ' O ' ' HD3' ' A' ' 91' ' ' PRO . 4.3 mt-10 -92.26 -43.47 9.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 1.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -112.97 90.2 15.2 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 1.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 89' ' ' GLU . 60.7 Cg_endo -77.74 9.68 2.86 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.265 3.31 . . . . 1.0 109.617 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.71 -9.21 41.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.455 1.097 . . . . 1.0 110.301 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.558 ' HB3' HD23 ' A' ' 97' ' ' LEU . 85.7 mt -107.54 -1.71 21.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.322 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -47.23 -25.97 1.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 1.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -107.48 40.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 1.0 109.309 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.579 ' C ' HD22 ' A' ' 97' ' ' LEU . 10.5 m-20 -156.43 -42.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.563 1.165 . . . . 1.0 109.269 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.064 HD11 ' CHA' ' A' ' 282' ' ' HEM . 1.2 mm? -108.52 36.07 2.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 1.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.911 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.2 OUTLIER -171.3 -42.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 110.38 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -44.65 125.9 6.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.502 1.126 . . . . 1.0 111.05 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 79.5 m -71.26 -43.86 66.39 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -116.27 141.4 48.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.442 1.089 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 66.82 46.82 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 1.0 109.311 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 22.5 p -120.98 164.57 16.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -57.17 -17.89 13.03 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 1.0 109.274 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.407 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 72.8 m -93.99 -63.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.133 . . . . 1.0 108.297 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -101.18 106.45 45.14 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.795 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 51.5 Cg_exo . . . . . 0 N--CA 1.447 -1.219 0 C-N-CA 124.323 3.349 . . . . 1.0 109.57 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.808 ' O2D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.57 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 1.064 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.457 HBC1 ' CE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.105 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -53.95 172.82 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.336 3.358 . . . . 1.0 109.585 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -88.83 121.06 30.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.9 p -40.08 123.22 1.64 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 1.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.555 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 74.2 Cg_exo -53.47 139.29 65.7 Favored 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.262 3.308 . . . . 1.0 109.589 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -101.61 -74.16 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 1.0 109.283 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.05 138.04 91.05 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 1.0 109.279 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -42.86 144.81 1.29 Allowed 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.324 3.349 . . . . 1.0 109.595 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 m -112.56 142.87 23.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.31 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -93.4 131.58 38.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 1.0 110.341 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.516 HG22 ' O2D' ' A' ' 233' ' ' HEM . 65.5 t -104.37 68.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mtmt -56.57 141.55 42.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.05 -130.22 3.15 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.467 1.104 . . . . 1.0 111.025 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.3 p -70.94 -58.1 3.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 0.753 . . . . 1.0 109.98 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -151.92 24.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.153 . . . . 1.0 110.261 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 mttm -135.86 147.05 48.06 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.552 1.158 . . . . 1.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.2 m -126.24 111.39 14.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 1.0 110.338 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG11 ' SG ' ' A' ' 105' ' ' CYS . 77.4 t -110.33 120.91 62.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 1.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.8 mmt -74.93 153.04 38.77 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.548 1.155 . . . . 1.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -141.88 119.38 7.47 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 1.0 110.966 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.613 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 39.0 Cg_endo -88.46 129.44 2.25 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.341 3.361 . . . . 1.0 109.623 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -82.03 -32.99 30.22 Favored 'General case' 0 CA--C 1.54 0.559 0 O-C-N 124.164 0.915 . . . . 1.0 109.824 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.997 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.33 -72.92 0.12 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 1.0 109.265 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.997 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 84.1 Cg_exo -33.8 -39.47 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.169 0 C-N-CA 124.312 3.341 . . . . 1.0 109.584 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.469 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 62.3 m80 -96.98 51.02 1.11 Allowed 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.113 0.883 . . . . 1.0 109.764 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 23' ' ' ALA . 2.1 mt-10 -90.46 -29.0 18.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 110.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -80.78 -37.44 30.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 1.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 46.9 t -54.71 127.73 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.559 1.162 . . . . 1.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 1.0 OUTLIER -46.15 172.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 1.0 110.318 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -101.4 -0.82 34.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 1.0 108.357 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -115.61 -3.3 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.6 m -77.69 -39.08 45.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 1.0 110.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.455 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 17.1 m -96.92 -60.19 1.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 1.0 108.302 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.52 74.97 5.05 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.708 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 24.7 p80 -62.38 146.82 50.29 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 124.164 0.915 . . . . 1.0 109.763 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.574 HD22 ' O ' ' A' ' 40' ' ' LYS . 45.8 mt -69.91 152.3 44.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 1.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.41 126.27 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 1.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.46 35.9 15.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 1.0 109.305 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.57 35.38 91.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 1.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.574 ' O ' HD22 ' A' ' 36' ' ' LEU . 4.1 ptmt -129.74 177.67 7.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 1.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -101.97 137.44 40.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 1.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.69 164.5 38.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.991 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 61.7 m-85 -156.88 31.45 0.3 Allowed 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 114.963 -1.017 . . . . 1.0 109.825 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.71 179.47 5.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 1.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -65.22 138.48 58.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 1.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.427 ' HA ' ' HHC' ' A' ' 251' ' ' HEM . 71.2 m -52.75 -32.87 45.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 1.0 108.278 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -111.8 57.63 0.42 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.484 1.115 . . . . 1.0 110.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 49' ' ' SER . 19.7 m -94.13 144.03 25.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 0.806 . . . . 1.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.8 m -37.63 123.8 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 1.0 109.944 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 99.54 -32.33 7.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.483 1.115 . . . . 1.0 111.002 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.513 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -93.03 -145.47 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.338 -0.986 . . . . 1.0 108.338 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.954 ' CE1' HG11 ' A' ' 67' ' ' VAL . 38.6 m-70 -64.51 61.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 115.032 -0.986 . . . . 1.0 109.784 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.517 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -74.91 -48.33 25.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 1.0 109.326 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 45.5 t0 -57.13 119.6 6.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 1.0 109.355 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.517 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -112.92 -1.15 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 1.0 109.288 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.8 m -96.74 -62.83 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 1.0 110.382 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -50.1 147.95 3.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -36.26 8.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 1.0 109.356 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.04 134.4 41.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 1.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 132.18 148.13 6.02 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 1.0 110.962 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -80.37 7.84 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 0.749 . . . . 1.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -118.13 8.96 12.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 1.0 109.357 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.705 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.5 OUTLIER -98.82 119.67 37.96 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 1.0 109.993 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.98 -15.65 24.02 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 1.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.408 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 31.5 t80 -84.82 -39.78 17.95 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.859 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -68.68 -0.43 5.25 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 118.904 -0.569 . . . . 1.0 109.803 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.954 HG11 ' CE1' ' A' ' 52' ' ' HIS . 0.0 OUTLIER -119.81 38.65 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 1.0 109.25 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.755 ' O ' HD13 ' A' ' 80' ' ' LEU . 51.9 t -160.09 -48.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 1.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.531 ' HA ' HD22 ' A' ' 80' ' ' LEU . 2.1 m80 -105.28 35.46 2.82 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 114.977 -1.011 . . . . 1.0 109.781 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.632 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -114.22 93.79 4.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.493 1.121 . . . . 1.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.84 -17.01 27.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 1.0 110.318 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -64.99 -159.29 0.41 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.531 1.144 . . . . 1.0 111.029 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.664 ' O ' HD23 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -83.01 137.89 33.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 1.0 110.286 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.664 HD23 ' O ' ' A' ' 73' ' ' GLU . 10.9 mt -148.31 -171.89 3.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 1.0 109.314 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.72 -26.44 18.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 1.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.589 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 51.4 m-70 -126.55 -169.4 2.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 1.0 109.626 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.4 m -105.05 127.35 52.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 1.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.59 171.19 10.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.992 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.442 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -69.37 -66.27 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 1.0 108.327 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.755 HD13 ' O ' ' A' ' 68' ' ' VAL . 8.3 mp -47.21 -23.15 0.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 1.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.37 -51.01 26.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 1.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.627 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 48.9 t -93.63 34.74 1.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 1.0 108.262 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.706 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.2 m170 -132.91 -45.61 0.86 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.016 -0.993 . . . . 1.0 109.766 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 19.8 p -73.88 -16.68 61.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 1.0 109.995 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.533 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 40.6 mttt -94.03 -35.14 12.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 1.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.3 t -61.96 -40.68 88.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 1.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.556 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.9 m -64.32 -19.57 25.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 1.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -44.3 -40.86 5.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 1.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -92.73 -21.69 19.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.115 . . . . 1.0 110.266 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.581 ' HE3' HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -132.43 87.75 41.49 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 1.0 109.279 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -78.95 9.74 3.19 Favored 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.321 3.347 . . . . 1.0 109.62 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -100.07 -2.13 35.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 1.116 . . . . 1.0 110.296 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.581 HD12 ' HE3' ' A' ' 90' ' ' LYS . 18.6 mt -116.14 1.0 13.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.255 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.556 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.3 OUTLIER -54.27 -32.7 56.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 1.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.492 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -89.47 16.81 7.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 1.0 109.359 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' CB ' HD23 ' A' ' 97' ' ' LEU . 9.1 m-20 -131.44 -44.02 1.02 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 1.0 109.309 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.897 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -107.06 49.84 0.79 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 1.0 109.308 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.7 -28.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 1.0 110.392 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.455 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -49.18 130.69 24.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.526 1.141 . . . . 1.0 110.988 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 60.4 m -78.28 -48.73 15.07 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.346 -0.983 . . . . 1.0 108.346 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.98 130.72 55.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 1.0 109.256 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.9 mttp 68.09 55.42 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.551 1.157 . . . . 1.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 28.5 p -123.87 165.68 16.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 1.0 109.966 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -58.36 -18.05 24.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 1.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.449 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -97.77 -67.52 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 1.0 108.312 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -93.03 110.33 45.27 Favored Pre-proline 0 CA--C 1.54 0.571 0 CA-C-N 114.987 -1.006 . . . . 1.0 109.775 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.408 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 50.3 Cg_exo . . . . . 0 N--CA 1.447 -1.258 0 C-N-CA 124.303 3.335 . . . . 1.0 109.618 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.516 ' O2D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.815 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.897 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.824 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 122.056 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.73 171.89 1.81 Allowed 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 124.302 3.335 . . . . 1.0 109.593 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.0 116.43 18.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 1.0 109.318 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.2 p -47.32 122.15 7.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 1.0 109.264 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.733 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 76.4 Cg_exo -54.08 138.02 70.39 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.273 3.315 . . . . 1.0 109.588 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.66 -65.41 0.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 1.0 109.264 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.51 128.47 93.87 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -38.89 141.79 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.296 3.331 . . . . 1.0 109.612 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.8 m -113.99 138.48 43.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 1.0 109.306 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.18 147.48 27.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 1.0 110.308 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 ' O ' HG12 ' A' ' 11' ' ' VAL . 99.1 t -116.31 59.09 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 1.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -43.61 143.58 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 1.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -138.11 -129.84 2.75 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.506 1.129 . . . . 1.0 110.996 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.0 p -69.67 -57.37 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 1.0 110.039 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.33 27.98 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 110.288 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -136.49 150.13 48.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 1.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.5 m -125.58 112.88 16.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 1.0 110.424 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.1 t -114.16 118.8 59.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 1.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.0 mmt -73.92 153.72 39.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 1.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 34.9 t80 -140.93 114.94 7.14 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 1.0 111.002 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.663 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 38.2 Cg_endo -86.4 135.67 4.46 Favored 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.272 3.315 . . . . 1.0 109.621 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.733 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 3.6 m80 -86.04 -37.13 19.24 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.138 0.899 . . . . 1.0 109.773 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.66 -68.68 0.26 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 1.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 73.4 Cg_exo -39.86 -36.58 1.34 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.33 3.353 . . . . 1.0 109.606 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 69.1 m80 -104.0 42.25 1.21 Allowed 'General case' 0 CA--C 1.539 0.539 0 O-C-N 124.157 0.911 . . . . 1.0 109.76 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.494 ' N ' ' O ' ' A' ' 23' ' ' ALA . 5.2 tp10 -100.59 42.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 1.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.22 -46.15 0.7 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 1.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.689 HG11 HG21 ' A' ' 32' ' ' THR . 3.1 t -72.11 140.09 18.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 1.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.42 176.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 1.0 110.309 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.447 ' O ' ' HB2' ' A' ' 34' ' ' HIS . 3.6 m -97.82 24.18 7.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 1.0 108.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.18 -20.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 1.0 109.241 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.689 HG21 HG11 ' A' ' 28' ' ' VAL . 20.9 m -66.89 -41.24 87.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.107 . . . . 1.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 28.5 m -96.76 -58.53 2.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 1.0 108.279 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.447 ' HB2' ' O ' ' A' ' 30' ' ' CYS . 98.4 m-70 -76.19 71.22 2.91 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.033 -0.985 . . . . 1.0 109.732 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.4 p80 -59.66 146.3 41.64 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.112 0.883 . . . . 1.0 109.755 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.83 149.51 39.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 1.0 109.322 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.608 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -112.02 98.19 6.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 1.0 109.246 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.0 t70 67.43 40.38 2.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 1.0 109.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.45 31.66 81.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.486 1.116 . . . . 1.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.462 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 0.0 OUTLIER -135.56 149.03 49.31 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 0.78 . . . . 1.0 109.257 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -69.11 140.84 54.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 1.0 110.329 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -155.0 163.03 40.89 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.118 . . . . 1.0 109.999 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 67.1 m-85 -159.06 35.17 0.21 Allowed 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 114.978 -1.01 . . . . 1.0 109.829 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.59 179.95 7.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.509 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -58.03 165.0 2.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 1.0 109.315 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 65.3 m -92.82 22.09 5.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 108.278 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 59.4 0.26 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.448 1.093 . . . . 1.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.2 m -102.03 148.62 25.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.775 . . . . 1.0 109.987 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 48' ' ' SER . 92.3 p -37.64 124.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 1.0 109.98 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.87 -38.93 2.94 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.528 1.142 . . . . 1.0 110.987 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.493 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.1 m -90.99 -145.92 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.807 ' CE1' HG11 ' A' ' 67' ' ' VAL . 19.2 m-70 -66.03 60.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 114.951 -1.022 . . . . 1.0 109.798 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -81.41 -32.62 32.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 57' ' ' ALA . 9.6 t70 -66.14 124.1 21.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.444 1.09 . . . . 1.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.89 8.61 10.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.162 . . . . 1.0 109.278 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.76 -52.95 2.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 1.0 110.342 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.476 ' N ' ' OD2' ' A' ' 54' ' ' ASP . . . -63.44 154.05 33.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.9 -35.23 8.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 1.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -104.6 149.7 25.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 1.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.86 147.64 7.45 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 1.0 110.984 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -77.27 1.58 18.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 0.735 . . . . 1.0 110.269 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 52' ' ' HIS . 0.3 OUTLIER -110.37 7.13 22.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 1.0 109.276 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.492 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -99.45 133.62 43.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 1.0 110.047 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.9 tp -74.94 -14.56 60.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 1.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -85.7 -41.5 15.09 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 114.975 -1.012 . . . . 1.0 109.846 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -65.66 -5.24 7.86 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-O 118.907 -0.568 . . . . 1.0 109.846 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.807 HG11 ' CE1' ' A' ' 52' ' ' HIS . 10.1 m -120.28 39.41 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 1.0 109.245 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.807 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.5 t -153.71 -50.58 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 1.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.548 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -107.71 39.68 1.87 Allowed 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' CB ' HD11 ' A' ' 74' ' ' LEU . . . -108.03 105.2 14.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 1.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.0 mtt180 -98.28 -8.76 26.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 1.0 110.294 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.08 -157.99 8.77 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.49 1.119 . . . . 1.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -91.39 138.49 31.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 0.786 . . . . 1.0 110.292 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.503 HD11 ' CB ' ' A' ' 70' ' ' ALA . 3.2 mt -142.03 -170.23 3.1 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.124 . . . . 1.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -89.64 -26.35 20.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.5 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 65.1 m-70 -124.01 -170.88 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 1.0 109.637 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -101.1 123.78 45.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 1.0 110.385 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.472 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.9 OUTLIER -83.71 164.8 19.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.5 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -68.66 -64.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 1.0 108.266 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.807 HD13 ' O ' ' A' ' 68' ' ' VAL . 4.6 mp -49.08 -29.41 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.434 1.084 . . . . 1.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -62.44 -67.14 0.44 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 1.0 109.249 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 50.5 t -52.51 -54.05 37.81 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 1.0 108.271 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.482 ' O ' HG22 ' A' ' 87' ' ' VAL . 37.2 m170 -44.06 -56.93 3.66 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.035 -0.984 . . . . 1.0 109.766 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.9 t -48.88 -51.03 32.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 1.0 110.023 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.725 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.0 OUTLIER -64.67 -33.91 77.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 1.0 109.284 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 t -65.36 -62.57 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 1.0 109.351 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.538 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.6 m -53.22 -20.77 3.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.139 . . . . 1.0 109.273 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.725 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.15 -38.39 2.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 1.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -85.99 -37.53 18.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 1.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.98 91.78 49.62 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 1.0 109.277 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.81 8.5 3.4 Favored 'Trans proline' 0 N--CA 1.447 -1.209 0 C-N-CA 124.313 3.342 . . . . 1.0 109.604 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.1 -5.95 29.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 1.0 110.316 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 93' ' ' LEU . 16.8 mt -111.06 -0.86 16.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 1.0 109.259 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.538 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.1 ttmt -57.06 -32.22 66.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 1.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -7.39 39.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 1.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.661 ' C ' HD23 ' A' ' 97' ' ' LEU . 11.9 m-20 -115.61 -42.17 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 1.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.791 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -101.43 47.72 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 165.45 -28.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 1.0 110.429 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -46.46 128.14 10.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.532 1.145 . . . . 1.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 82.5 m -77.89 -47.27 19.12 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.267 -1.012 . . . . 1.0 108.267 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.15 137.17 52.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.0 42.89 1.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.435 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 40.0 p -113.84 166.37 11.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 1.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.46 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 7.9 mmmt -59.14 -23.54 62.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 1.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.459 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 0.6 OUTLIER -90.02 -59.71 2.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 108.284 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -102.27 104.3 36.22 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.783 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 32.5 Cg_exo . . . . . 0 N--CA 1.447 -1.243 0 C-N-CA 124.323 3.349 . . . . 1.0 109.617 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.544 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.509 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.624 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.801 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.447 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.21 0 CA-C-O 122.064 0.935 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 11.4 Cg_endo -50.79 169.98 0.15 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.295 3.33 . . . . 1.0 109.6 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.78 139.09 40.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 1.0 109.273 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.77 127.17 93.33 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.635 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 72.6 Cg_exo -55.3 140.68 81.87 Favored 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 124.309 3.339 . . . . 1.0 109.586 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.25 -67.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 1.0 109.324 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.37 136.36 96.67 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 1.0 109.289 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -43.78 135.08 7.51 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.329 3.353 . . . . 1.0 109.646 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.1 m -106.87 140.66 24.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 1.0 109.302 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -87.1 151.1 23.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 1.0 110.308 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 11' ' ' VAL . 71.2 t -123.99 62.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -40.46 142.74 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 1.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.63 -127.1 2.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.481 1.113 . . . . 1.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.12 -56.96 6.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 1.0 110.0 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -160.15 25.72 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 1.0 110.282 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -137.83 155.92 48.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 1.0 109.271 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.6 m -124.13 119.92 30.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 1.0 110.367 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.4 t -113.27 114.59 47.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 1.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 mmt -66.36 150.17 49.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 1.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.439 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 41.9 t80 -138.25 112.16 8.63 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 111.002 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.6 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 43.8 Cg_endo -84.38 130.06 4.51 Favored 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.266 3.311 . . . . 1.0 109.614 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.635 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -83.65 -34.74 24.97 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.123 0.889 . . . . 1.0 109.806 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.999 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.55 -67.95 0.31 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 1.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.999 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 89.3 Cg_exo -39.23 -35.51 0.7 Allowed 'Trans proline' 0 N--CA 1.448 -1.193 0 C-N-CA 124.297 3.331 . . . . 1.0 109.589 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -108.95 50.15 0.79 Allowed 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.134 0.896 . . . . 1.0 109.787 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 10.2 tt0 -91.96 -27.87 17.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 pttp -83.01 -39.71 20.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 1.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.39 125.23 16.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -53.43 152.65 4.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 1.0 110.279 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.521 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.6 m -75.93 -28.15 57.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 108.281 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 p -68.41 -21.62 26.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.443 1.089 . . . . 1.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.0 m -69.61 -36.63 76.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 1.0 110.355 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.429 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 4.4 m -102.36 -56.32 2.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 1.0 108.31 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.1 m-70 -78.95 68.11 4.82 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.768 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 6.6 p80 -56.27 143.04 35.36 Favored 'General case' 0 CA--C 1.54 0.571 0 O-C-N 124.173 0.921 . . . . 1.0 109.733 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.7 mt -59.18 147.48 35.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 1.0 109.285 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 2.2 t -106.41 108.17 24.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.7 t0 53.3 46.1 27.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 62.06 32.95 84.11 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.456 1.098 . . . . 1.0 111.041 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.18 166.25 23.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 0.77 . . . . 1.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -87.77 134.54 33.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 1.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.627 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.97 163.59 36.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 1.0 109.969 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.627 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.8 m-85 -159.36 35.35 0.2 Allowed 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.817 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.11 174.28 9.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.332 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.503 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -55.82 163.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.697 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.7 m -89.25 25.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 108.297 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -166.2 57.1 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 1.0 111.038 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 15.1 m -101.87 144.75 30.13 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 0.778 . . . . 1.0 109.991 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -36.09 125.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 1.0 109.965 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.08 -38.85 2.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.499 1.124 . . . . 1.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.446 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.8 m -90.77 -144.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.292 -1.003 . . . . 1.0 108.292 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.966 ' CE1' HG11 ' A' ' 67' ' ' VAL . 24.4 m-70 -66.33 60.02 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.018 -0.992 . . . . 1.0 109.764 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.49 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -68.74 -48.01 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.509 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 44.9 t0 -60.15 125.34 23.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.49 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.2 OUTLIER -118.37 4.69 11.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 1.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.8 m -105.32 -58.36 1.91 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 1.0 110.39 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -41.25 147.07 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.144 . . . . 1.0 109.285 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 -25.18 14.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 1.0 109.283 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.52 146.53 47.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 1.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.62 144.28 6.19 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.574 1.171 . . . . 1.0 111.019 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -76.4 0.99 17.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.558 0.799 . . . . 1.0 110.301 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.26 11.57 29.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.616 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.7 OUTLIER -101.2 146.89 26.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 1.0 109.973 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.697 HD13 ' O ' ' A' ' 46' ' ' CYS . 64.8 tp -88.52 -23.54 23.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 1.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.471 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 2.8 t80 -81.32 -40.53 23.46 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.007 -0.997 . . . . 1.0 109.857 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 66' ' ' TYR . 67.6 t80 -73.64 10.58 1.04 Allowed 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 118.903 -0.57 . . . . 1.0 109.812 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.966 HG11 ' CE1' ' A' ' 52' ' ' HIS . 1.4 m -126.6 31.14 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 1.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.511 HG13 ' SG ' ' A' ' 79' ' ' CYS . 20.1 t -153.71 -48.46 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.535 ' HA ' HD12 ' A' ' 80' ' ' LEU . 24.1 m80 -86.26 -39.1 16.89 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 115.042 -0.981 . . . . 1.0 109.771 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -38.83 109.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 1.0 109.322 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.16 -3.57 34.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 1.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.32 -160.92 13.03 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 1.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.07 137.09 32.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 0.764 . . . . 1.0 110.325 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.549 HD22 HBA2 ' A' ' 251' ' ' HEM . 1.0 OUTLIER -137.79 -168.27 2.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 1.0 109.269 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.0 mmtm -85.61 -18.5 33.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 1.0 109.316 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 32.3 m80 -138.29 -173.26 3.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 1.0 109.565 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.6 m -94.17 135.49 35.49 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 1.0 110.416 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.52 176.83 6.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 1.0 110.037 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.55 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 4.1 m -78.81 -62.45 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 1.0 108.314 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.677 HD21 ' HA ' ' A' ' 98' ' ' THR . 4.9 mt -53.94 -18.94 3.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 1.0 109.306 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' O ' ' CD ' ' A' ' 85' ' ' LYS . . . -73.74 -48.84 28.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.624 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 42.1 t -91.32 35.41 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 108.303 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 97' ' ' LEU . 8.7 m170 -128.08 -65.54 0.9 Allowed 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.726 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.535 ' O ' HG22 ' A' ' 87' ' ' VAL . 42.9 t -57.48 -15.86 8.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 1.0 110.032 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.479 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.6 mptt -91.29 -36.77 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.137 . . . . 1.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 3.3 t -61.48 -43.2 96.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 84' ' ' SER . 18.5 m -54.4 -25.22 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 1.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.479 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -40.6 -33.65 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -95.89 -43.67 7.73 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 1.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 92.78 23.06 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 1.0 109.346 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.99 10.0 2.81 Favored 'Trans proline' 0 N--CA 1.447 -1.246 0 C-N-CA 124.282 3.321 . . . . 1.0 109.568 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -95.85 -9.07 32.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 1.0 110.266 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 79.2 mt -109.19 0.6 19.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 1.0 109.345 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.451 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.0 OUTLIER -53.7 -19.2 3.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 1.0 109.258 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 43.31 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -155.02 -44.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.973 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -95.86 23.25 6.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 1.0 109.306 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 97' ' ' LEU . 1.0 OUTLIER -160.74 -44.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 1.0 110.425 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.445 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.28 124.01 0.82 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.481 1.113 . . . . 1.0 110.984 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 59.7 m -73.42 -46.45 48.52 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.307 -0.997 . . . . 1.0 108.307 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.51 135.0 51.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 1.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.5 mptt 66.62 56.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 1.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -126.58 164.31 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 1.0 110.022 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.463 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 9.8 mmmt -53.29 -21.08 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 57.2 m -93.32 -72.51 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 1.0 108.3 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -82.24 113.75 46.11 Favored Pre-proline 0 CA--C 1.54 0.559 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.781 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo . . . . . 0 N--CA 1.448 -1.194 0 C-N-CA 124.32 3.347 . . . . 1.0 109.577 179.91 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.447 HBC1 ' CHC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.549 HBA2 HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.973 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.464 ' O2D' HD23 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.211 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.457 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 12.0 Cg_endo -51.68 170.54 0.19 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.342 3.362 . . . . 1.0 109.607 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -87.28 125.56 34.29 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 1.0 109.345 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.0 p -47.58 122.77 8.83 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 1.0 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.553 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 67.3 Cg_exo -55.29 137.01 76.03 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.323 3.348 . . . . 1.0 109.594 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.38 32.58 5.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 1.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 8' ' ' PRO . 2.8 tmtt? -149.28 117.63 3.81 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 1.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' A' ' 7' ' ' LYS . 12.5 Cg_exo -33.01 112.62 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.294 3.33 . . . . 1.0 109.617 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.873 HG11 ' CGA' ' A' ' 233' ' ' HEM . 29.1 m -93.28 151.84 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 1.0 109.319 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.42 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.5 mm-40 -103.31 131.63 50.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 1.0 110.292 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 11' ' ' VAL . 77.8 t -102.37 73.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 1.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.2 mttt -52.65 151.8 4.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 1.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -142.21 -138.8 3.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.484 1.115 . . . . 1.0 110.967 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -52.06 62.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 1.0 110.014 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -161.54 26.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -136.01 161.22 36.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 1.0 109.262 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.42 HG23 ' HB3' ' A' ' 10' ' ' GLU . 2.4 m -134.11 128.91 35.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.157 . . . . 1.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.98 118.31 48.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.549 1.156 . . . . 1.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -71.52 148.85 46.32 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.505 1.128 . . . . 1.0 110.942 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.43 ' O ' HG22 ' A' ' 9' ' ' VAL . 35.1 t80 -138.37 111.16 8.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 1.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.566 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 67.1 Cg_endo -81.89 132.66 7.58 Favored 'Trans proline' 0 N--CA 1.447 -1.247 0 C-N-CA 124.355 3.37 . . . . 1.0 109.613 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.446 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 2.3 m80 -85.04 -36.05 21.49 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.116 0.885 . . . . 1.0 109.782 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.993 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.25 -71.38 0.15 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 1.0 109.287 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.993 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 62.6 Cg_exo -37.79 -36.52 0.44 Allowed 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.33 3.353 . . . . 1.0 109.622 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.5 m80 -102.41 49.62 0.84 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 124.11 0.881 . . . . 1.0 109.8 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ALA . 3.7 mt-10 -92.06 -26.19 18.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 1.0 110.304 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.08 -39.6 29.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 1.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.6 t -66.03 129.26 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 1.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.57 ' O ' HMC1 ' A' ' 233' ' ' HEM . 3.3 mt-10 -59.04 170.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 1.0 110.296 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -87.53 -33.36 18.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 1.0 108.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.96 -23.6 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 1.0 109.26 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.0 m -65.6 -46.44 79.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 1.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 9.3 m -94.85 -56.03 2.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -77.86 63.61 2.93 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.034 -0.984 . . . . 1.0 109.729 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 6.3 p80 -52.85 147.89 8.38 Favored 'General case' 0 CA--C 1.539 0.537 0 O-C-N 124.14 0.9 . . . . 1.0 109.734 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 mt -73.04 147.06 45.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.091 . . . . 1.0 109.345 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.57 HG12 ' H ' ' A' ' 38' ' ' ASP . 18.4 t -70.29 -124.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 1.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.57 ' H ' HG12 ' A' ' 37' ' ' VAL . 36.1 p30 -98.59 28.98 3.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 1.0 109.259 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.71 52.75 0.65 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 1.0 111.002 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.69 116.09 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 0.799 . . . . 1.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.5 tt0 -48.9 141.39 7.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 110.282 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.63 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.88 163.39 38.17 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 1.0 110.015 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.63 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.1 m-85 -154.79 43.96 0.5 Allowed 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.825 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -90.33 -178.5 5.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.126 . . . . 1.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -62.83 166.4 5.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 1.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.758 ' O ' HD13 ' A' ' 64' ' ' LEU . 60.8 m -92.22 22.63 4.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.082 . . . . 1.0 108.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.81 58.51 0.26 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.469 1.106 . . . . 1.0 110.947 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.3 m -103.88 147.15 27.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 1.0 110.049 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' SER . 15.3 m -36.76 128.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 1.0 109.981 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.74 -35.93 4.33 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.478 1.111 . . . . 1.0 110.977 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -94.35 -145.41 0.25 Allowed 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.254 -1.017 . . . . 1.0 108.254 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.841 ' CE1' HG11 ' A' ' 67' ' ' VAL . 23.2 m-70 -65.47 61.42 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.765 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.9 OUTLIER -72.56 -41.2 66.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 1.0 109.281 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 41.7 t0 -67.21 125.92 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.103 . . . . 1.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 5.43 12.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 109.339 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.19 -56.82 2.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 1.0 110.422 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.634 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -40.67 141.4 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 1.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 pttm -91.41 -37.71 13.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 1.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -116.71 148.21 41.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.098 . . . . 1.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 127.51 145.87 6.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 1.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -76.54 0.67 19.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 0.776 . . . . 1.0 110.339 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.4 mtmt -105.61 7.79 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 1.0 109.256 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.634 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -101.57 141.01 35.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 109.99 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 46' ' ' CYS . 66.7 tp -82.55 -26.29 32.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 1.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 33.8 t80 -74.97 -40.5 60.71 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.856 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 25.2 t80 -66.17 -5.48 10.25 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.92 -0.562 . . . . 1.0 109.824 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.841 HG11 ' CE1' ' A' ' 52' ' ' HIS . 3.5 m -118.43 40.16 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.097 . . . . 1.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 67' ' ' VAL . 53.5 t -159.84 -47.38 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.095 . . . . 1.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.0 m80 -104.29 22.89 14.0 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.013 -0.994 . . . . 1.0 109.755 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.54 100.43 10.85 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 1.0 109.288 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HG3' HD23 ' A' ' 80' ' ' LEU . 11.5 ttp85 -92.63 -15.88 26.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 1.0 110.262 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.69 -158.13 0.45 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 1.0 111.035 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.61 135.28 33.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 0.767 . . . . 1.0 110.287 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.6 mt -140.56 -171.77 3.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 1.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.03 -8.96 23.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 1.0 109.295 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 26.7 m80 -139.6 177.3 8.03 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 1.0 109.612 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 2.5 m -90.05 129.37 36.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 1.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.89 172.61 8.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 110.048 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.87 -64.47 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 1.0 108.305 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.539 HD23 ' HG3' ' A' ' 71' ' ' ARG . 7.0 tt -54.47 -21.16 9.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 1.0 109.273 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.9 -65.01 0.79 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 45.1 t -54.88 -52.04 64.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 1.0 108.305 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' HE1' HBC1 ' A' ' 305' ' ' HEM . 43.2 m170 -45.64 -51.6 11.95 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 115.031 -0.986 . . . . 1.0 109.762 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.406 ' O ' HG22 ' A' ' 87' ' ' VAL . 18.5 t -53.47 -54.98 29.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 1.0 110.014 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.727 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 2.2 mttt -59.63 -33.59 71.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 1.0 109.238 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.3 t -65.81 -62.82 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 1.0 109.339 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 84' ' ' SER . 35.9 m -52.54 -20.99 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 1.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.727 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.1 -36.5 2.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 1.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -91.28 -37.62 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 1.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.24 93.19 47.94 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 1.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -79.88 12.6 2.39 Favored 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.314 3.343 . . . . 1.0 109.578 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -97.36 -8.71 28.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 1.0 110.32 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 86.4 mt -109.98 -1.01 17.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 1.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.05 -28.38 51.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 1.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.45 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -86.25 11.97 10.92 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 1.0 109.303 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -132.15 -43.98 0.95 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 1.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.828 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -103.23 49.6 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 1.0 109.295 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.534 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 163.58 -27.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 1.0 110.427 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -51.28 129.41 32.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.544 1.153 . . . . 1.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 34.4 m -77.54 -50.06 13.38 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.313 -0.995 . . . . 1.0 108.313 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.02 134.11 52.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 109.341 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.5 mttp 66.82 54.99 0.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 1.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.5 p -123.12 164.02 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 1.0 110.027 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 8.6 mmmt -54.98 -22.34 14.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 1.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 16.5 m -93.77 -71.81 0.64 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 1.0 108.305 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -79.81 113.8 40.79 Favored Pre-proline 0 CA--C 1.54 0.573 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.751 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 N--CA 1.447 -1.261 0 C-N-CA 124.342 3.361 . . . . 1.0 109.601 179.822 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.873 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.617 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.828 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.437 HBC1 ' HE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.194 0 CA-C-O 122.051 0.929 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 1' ' ' ALA . 52.3 Cg_exo -46.71 174.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.176 0 C-N-CA 124.309 3.339 . . . . 1.0 109.551 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.01 124.4 30.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 1.0 109.303 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.402 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 5.0 p -46.16 128.11 7.44 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 1.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.73 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 50.6 Cg_exo -57.86 135.41 68.84 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.319 3.346 . . . . 1.0 109.616 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.58 22.84 7.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 1.0 109.282 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.476 ' CD ' ' HD2' ' A' ' 8' ' ' PRO . 1.3 tptt -138.67 121.7 10.88 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 1.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.476 ' HD2' ' CD ' ' A' ' 7' ' ' LYS . 23.2 Cg_exo -33.9 111.12 0.06 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.232 0 C-N-CA 124.315 3.343 . . . . 1.0 109.599 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 20' ' ' PHE . 5.3 m -90.29 140.83 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -93.51 128.64 39.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 110.28 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.0 t -100.25 67.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 1.0 109.275 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -43.14 140.73 1.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 1.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.95 -146.2 5.54 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.519 1.137 . . . . 1.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.77 39.89 3.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 1.0 110.006 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -168.73 -41.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 1.0 110.28 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.2 -168.92 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 1.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 m -122.69 140.87 52.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 1.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -128.0 116.25 41.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 1.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -74.23 148.64 41.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 1.0 111.016 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.457 ' O ' HG22 ' A' ' 9' ' ' VAL . 14.3 t80 -139.0 117.53 9.1 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.123 . . . . 1.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.553 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 63.7 Cg_endo -83.52 135.84 7.21 Favored 'Trans proline' 0 N--CA 1.447 -1.227 0 C-N-CA 124.281 3.32 . . . . 1.0 109.614 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.73 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -86.89 -37.81 17.33 Favored 'General case' 0 CA--C 1.539 0.558 0 O-C-N 124.172 0.92 . . . . 1.0 109.779 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.011 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -41.76 -71.64 0.14 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 1.0 109.292 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.011 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 54.3 Cg_exo -38.43 -32.7 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.386 3.391 . . . . 1.0 109.521 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.407 ' CE1' ' NA ' ' A' ' 282' ' ' HEM . 75.3 m80 -103.85 52.8 0.76 Allowed 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.153 0.908 . . . . 1.0 109.802 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.502 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.75 39.86 2.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 1.0 110.243 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.88 -46.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 1.0 109.353 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.639 ' CG1' HG21 ' A' ' 32' ' ' THR . 17.7 t -76.84 124.79 35.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 1.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -40.08 156.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.483 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.0 m -74.84 -27.01 60.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 1.0 108.286 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 p -63.38 -27.56 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 1.0 109.288 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.639 HG21 ' CG1' ' A' ' 28' ' ' VAL . 22.2 m -60.96 -51.58 68.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 1.0 110.366 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 4.6 m -86.47 -53.81 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 1.0 108.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.483 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.3 m-70 -84.16 85.48 7.35 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.988 -1.005 . . . . 1.0 109.775 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CG ' ' CD2' ' A' ' 76' ' ' HIS . 13.8 p80 -67.02 157.75 32.69 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 124.149 0.906 . . . . 1.0 109.789 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.8 mt -73.99 149.05 41.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 1.0 109.288 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.481 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.1 t -110.37 103.26 15.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.108 . . . . 1.0 109.331 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 59.25 54.09 5.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 1.0 109.347 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.58 29.17 47.64 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.489 1.118 . . . . 1.0 110.98 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 158.64 40.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 0.741 . . . . 1.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -84.62 134.77 34.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 1.0 110.332 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -146.22 163.55 35.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 1.0 109.991 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 60.1 m-85 -159.22 33.85 0.2 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.82 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.43 -178.45 6.94 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.154 . . . . 1.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.693 ' O ' HMC1 ' A' ' 251' ' ' HEM . 6.8 mttp -60.75 145.98 47.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 1.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.416 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 71.0 m -66.35 -36.23 82.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 1.0 108.266 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -108.47 56.2 0.48 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.466 1.103 . . . . 1.0 111.005 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.6 m -91.94 141.81 28.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 0.768 . . . . 1.0 110.022 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.5 m -37.62 123.91 1.03 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 1.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.1 -36.61 4.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.114 . . . . 1.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.8 m -89.17 -142.08 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.324 -0.991 . . . . 1.0 108.324 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.406 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 40.2 m-70 -65.1 59.26 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.549 0 CA-C-N 115.004 -0.998 . . . . 1.0 109.799 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.523 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -72.64 -51.09 20.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 1.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.806 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 14.8 t70 -54.17 128.6 31.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 1.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.7 OUTLIER -121.26 8.35 10.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 1.0 109.299 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -113.05 -59.96 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 1.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.806 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -45.79 126.02 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -80.1 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.418 1.074 . . . . 1.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.17 165.8 24.07 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.21 139.64 5.25 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 1.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.478 ' HB2' ' CAD' ' A' ' 251' ' ' HEM . 12.1 pt-20 -75.67 -0.68 21.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 0.734 . . . . 1.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -113.13 7.75 18.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 1.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 3.6 m -98.6 136.02 39.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 1.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.4 tp -77.96 -22.73 49.02 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.5 1.125 . . . . 1.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.547 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 48.8 t80 -78.49 -41.97 31.0 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.01 -0.996 . . . . 1.0 109.835 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.627 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.7 t80 -54.82 -16.46 2.64 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.934 -0.555 . . . . 1.0 109.799 -179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.928 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -115.84 55.31 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 1.0 109.295 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 67' ' ' VAL . 13.1 t -163.37 -48.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 1.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.592 ' CE1' HG12 ' A' ' 68' ' ' VAL . 6.5 m80 -111.73 23.85 13.4 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.008 -0.997 . . . . 1.0 109.753 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -96.54 108.44 21.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.605 ' HB3' HD12 ' A' ' 80' ' ' LEU . 11.1 ptt180 -102.93 -1.04 30.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 1.0 110.335 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -82.6 -158.84 25.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.477 1.111 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -95.22 137.25 34.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 1.0 110.306 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.7 mt -140.76 -170.68 3.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 1.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -81.92 -16.31 50.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.551 1.157 . . . . 1.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.568 ' CD2' ' CG ' ' A' ' 35' ' ' HIS . 50.4 m-70 -138.96 -169.52 2.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 1.0 109.584 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.85 127.91 48.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.442 1.089 . . . . 1.0 110.428 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.469 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 8.4 m -86.97 171.21 10.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 1.0 110.01 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.408 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.8 m -73.33 -58.22 3.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.462 1.101 . . . . 1.0 108.237 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 71' ' ' ARG . 1.8 tm? -53.86 -22.05 8.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 109.289 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.51 -62.38 1.5 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 1.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 49.4 t -55.25 -62.6 1.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 1.0 108.298 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.486 ' O ' HG22 ' A' ' 87' ' ' VAL . 52.4 m170 -37.77 -51.67 1.27 Allowed 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 114.94 -1.027 . . . . 1.0 109.767 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.81 -51.57 63.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.428 1.08 . . . . 1.0 109.988 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.75 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 11.0 mttt -66.24 -30.96 71.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 1.0 109.326 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' CYS . 55.0 t -64.91 -63.55 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 1.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 83' ' ' HIS . 30.6 m -53.68 -20.44 3.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 1.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.75 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.85 -35.04 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.152 . . . . 1.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -95.1 -41.16 9.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 1.0 110.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.32 94.98 33.75 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 1.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 70.7 Cg_endo -79.92 11.85 2.64 Favored 'Trans proline' 0 N--CA 1.446 -1.281 0 C-N-CA 124.331 3.354 . . . . 1.0 109.606 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.69 -10.55 31.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 1.0 110.287 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' ASP . 47.7 mt -106.09 -4.9 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.5 tttm -50.65 -28.55 9.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 1.0 109.277 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.88 30.29 2.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 1.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.0 m-20 -152.07 -45.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.077 HD11 ' CHA' ' A' ' 282' ' ' HEM . 1.1 mm? -101.92 50.06 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 1.0 109.346 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.522 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.8 OUTLIER 164.7 -27.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 1.0 110.418 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.426 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -51.91 133.47 36.41 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.483 1.114 . . . . 1.0 111.043 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 40.9 m -80.66 -51.56 8.56 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.98 134.98 50.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 1.0 109.315 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mtmp? 66.65 48.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 1.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.7 p -118.58 164.65 15.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.157 . . . . 1.0 110.015 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.472 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 14.8 mmmt -57.66 -24.01 54.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.496 1.123 . . . . 1.0 109.336 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.15 -63.54 1.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.452 1.095 . . . . 1.0 108.345 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -94.82 109.96 46.85 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 114.97 -1.014 . . . . 1.0 109.739 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo . . . . . 0 N--CA 1.447 -1.22 0 C-N-CA 124.255 3.303 . . . . 1.0 109.629 179.814 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.453 HBC1 ' CHC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.693 HMC1 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 1.077 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.856 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 122.097 0.951 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.476 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 10.2 Cg_endo -49.61 171.42 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.323 3.348 . . . . 1.0 109.633 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.73 133.14 35.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 1.0 109.296 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.85 123.38 71.53 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 1.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.701 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 51.3 Cg_exo -57.0 136.23 75.49 Favored 'Trans proline' 0 N--CA 1.447 -1.237 0 C-N-CA 124.34 3.36 . . . . 1.0 109.631 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.31 29.56 5.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 109.276 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' VAL . 0.0 OUTLIER -145.27 116.48 5.11 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 1.0 109.347 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_exo -34.35 103.51 0.03 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.224 0 C-N-CA 124.286 3.324 . . . . 1.0 109.627 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.04 HG11 ' CGA' ' A' ' 233' ' ' HEM . 15.5 m -89.47 148.52 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 1.0 109.324 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.437 ' HB2' HG23 ' A' ' 17' ' ' THR . 1.6 pt-20 -92.7 131.16 38.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 1.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 11' ' ' VAL . 94.4 t -97.02 55.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.105 . . . . 1.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' VAL . 15.7 mmtt -39.89 142.35 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 1.0 109.322 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.34 -129.88 2.85 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.531 1.144 . . . . 1.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.4 p -69.22 -56.37 7.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 0.757 . . . . 1.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -160.19 31.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 1.0 110.3 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -143.56 146.09 33.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 1.0 109.308 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.437 HG23 ' HB2' ' A' ' 10' ' ' GLU . 24.2 m -117.11 134.39 54.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.9 t -133.16 108.02 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 1.0 109.297 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.43 ' O ' ' HG3' ' A' ' 19' ' ' MET . 2.8 ptp -64.13 140.61 58.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 1.0 111.022 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -131.61 118.43 16.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 1.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.568 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.4 Cg_endo -87.96 132.01 2.77 Favored 'Trans proline' 0 N--CA 1.448 -1.179 0 C-N-CA 124.283 3.322 . . . . 1.0 109.626 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.701 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.7 m80 -84.3 -37.47 21.62 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.145 0.903 . . . . 1.0 109.769 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.03 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.18 -69.84 0.2 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 1.0 109.303 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.03 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 57.7 Cg_exo -40.44 -31.42 0.61 Allowed 'Trans proline' 0 N--CA 1.447 -1.216 0 C-N-CA 124.302 3.334 . . . . 1.0 109.628 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.453 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 29.9 m80 -112.82 50.1 0.9 Allowed 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.137 0.898 . . . . 1.0 109.761 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -111.96 38.48 2.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 1.0 110.292 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.0 -45.82 0.58 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.525 1.141 . . . . 1.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.633 HG11 HG21 ' A' ' 32' ' ' THR . 18.5 t -70.91 124.28 26.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 1.0 109.32 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -38.27 152.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 1.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.486 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.9 m -72.65 -26.24 61.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 1.0 108.265 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 p -63.93 -22.54 31.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 1.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.633 HG21 HG11 ' A' ' 28' ' ' VAL . 63.1 m -64.35 -48.56 75.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 1.0 110.4 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 11.8 m -93.98 -55.33 3.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 108.242 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' CYS . 96.8 m-70 -78.61 74.89 5.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.751 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.0 p80 -61.46 156.14 20.08 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 124.21 0.944 . . . . 1.0 109.735 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.6 mt -66.1 145.49 55.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 1.0 109.342 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 1.6 t -122.55 126.27 73.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 1.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 55.02 27.69 9.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 1.0 109.309 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 67.97 43.32 82.77 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.497 1.123 . . . . 1.0 111.008 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -158.21 148.49 20.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 0.754 . . . . 1.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -59.91 138.79 57.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.464 1.102 . . . . 1.0 110.335 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -147.89 163.17 37.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 1.0 109.971 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 40.8 m-85 -154.88 31.87 0.4 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.871 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.45 -179.58 7.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.568 1.167 . . . . 1.0 109.295 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.55 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -59.14 162.08 4.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 1.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.48 ' O ' HD13 ' A' ' 64' ' ' LEU . 62.3 m -91.93 23.99 3.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 1.0 108.342 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.46 59.25 0.22 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.508 1.13 . . . . 1.0 110.986 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 49' ' ' SER . 0.7 OUTLIER -104.08 149.58 25.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 0.751 . . . . 1.0 109.99 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 48' ' ' SER . 50.5 m -36.69 126.28 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.473 1.108 . . . . 1.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . 0.449 ' N ' ' OD1' ' A' ' 53' ' ' ASP . . . 99.06 -36.15 4.22 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.514 1.134 . . . . 1.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.44 ' HB3' ' C4C' ' A' ' 251' ' ' HEM . 2.4 m -94.1 -148.26 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.319 -0.993 . . . . 1.0 108.319 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.655 ' CE1' HG11 ' A' ' 67' ' ' VAL . 16.9 m-70 -66.42 58.5 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.974 -1.012 . . . . 1.0 109.755 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 50' ' ' GLY . 0.3 OUTLIER -87.4 -8.3 56.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.105 . . . . 1.0 109.323 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -84.03 111.05 18.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 1.0 109.295 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.63 16.65 20.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 1.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -55.96 2.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 1.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.15 161.93 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 1.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.47 -41.2 4.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 1.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -109.65 150.41 28.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 1.0 109.355 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 122.74 153.7 8.88 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 1.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.2 3.22 15.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 1.0 110.323 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.49 -5.55 26.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 1.0 109.258 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.422 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.4 OUTLIER -92.34 142.86 26.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 1.0 110.042 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.497 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 66.7 tp -84.88 -28.93 25.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 1.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.2 t80 -71.85 -42.87 66.41 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.956 -1.02 . . . . 1.0 109.819 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.775 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 42.3 t80 -65.24 -7.48 13.22 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-O 118.894 -0.574 . . . . 1.0 109.815 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 68' ' ' VAL . 8.2 m -115.85 47.22 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 1.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 67' ' ' VAL . 3.5 t -160.48 -50.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 1.0 109.273 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' HA ' HD12 ' A' ' 80' ' ' LEU . 3.1 m80 -98.94 4.87 47.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.795 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -73.43 95.62 2.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 1.0 109.302 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 4.3 ptp180 -90.17 -14.54 33.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 1.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.81 -156.93 1.09 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.476 1.11 . . . . 1.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -90.44 134.54 34.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 0.767 . . . . 1.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.943 HD22 ' O2A' ' A' ' 251' ' ' HEM . 1.7 mt -139.68 -167.68 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.562 1.163 . . . . 1.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -92.76 -34.52 13.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.643 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 52.2 m-70 -115.92 -172.53 2.18 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 1.0 109.604 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 m -98.32 125.05 43.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 1.0 110.383 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.538 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 50.8 m -89.35 169.4 11.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 1.0 109.993 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.44 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -66.62 -66.78 0.51 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 1.0 108.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.524 HD23 ' HA ' ' A' ' 80' ' ' LEU . 2.0 mt -46.11 -23.6 0.34 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.092 . . . . 1.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -71.83 -50.91 25.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 1.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.602 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 40.0 t -94.22 30.43 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 1.0 108.258 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.495 ' O ' HG22 ' A' ' 87' ' ' VAL . 2.9 m170 -129.31 -50.06 1.19 Allowed 'General case' 0 CA--C 1.539 0.555 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.742 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.0 p -72.99 -24.75 60.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 1.0 110.0 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.563 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 32.1 mttt -88.96 -35.09 16.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 1.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -65.11 -46.81 90.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 1.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 83' ' ' HIS . 24.7 m -58.96 -21.76 20.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 1.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -42.9 -36.05 1.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 1.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.21 -38.15 16.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 1.0 110.257 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -124.57 85.15 56.63 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 1.0 109.25 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -74.84 8.86 2.17 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.299 3.333 . . . . 1.0 109.589 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.08 -5.02 41.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 1.0 110.334 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.65 ' O ' ' N ' ' A' ' 97' ' ' LEU . 79.4 mt -113.26 -3.45 13.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 1.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.473 ' HA ' HG11 ' A' ' 87' ' ' VAL . 3.6 tttm -47.53 -54.05 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 1.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -52.98 -25.16 11.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.775 ' C ' HD22 ' A' ' 97' ' ' LEU . 2.0 m-20 -95.07 -37.21 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 1.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.044 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.6 OUTLIER -114.41 55.49 0.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 1.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.542 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.01 -27.09 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 1.0 110.395 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -62.08 127.7 40.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 1.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.8 m -75.92 -47.63 24.48 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.274 -1.01 . . . . 1.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.39 135.83 49.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 1.0 109.273 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mtmt 68.42 53.42 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 1.0 109.282 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.1 p -125.67 163.55 22.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 1.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 7.3 mmmt -59.91 -16.82 32.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 1.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 74.0 m -92.14 -68.1 0.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 1.0 108.332 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -92.21 111.32 49.71 Favored Pre-proline 0 CA--C 1.539 0.553 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.773 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo . . . . . 0 N--CA 1.447 -1.241 0 C-N-CA 124.312 3.341 . . . . 1.0 109.589 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 1.04 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.943 ' O2A' HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 1.044 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.207 0 CA-C-O 122.093 0.949 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.2 171.81 0.5 Allowed 'Trans proline' 0 N--CA 1.448 -1.195 0 C-N-CA 124.297 3.331 . . . . 1.0 109.596 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.87 118.02 25.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 1.0 109.306 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.412 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -40.16 121.33 1.6 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 1.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.614 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 75.6 Cg_exo -53.52 139.38 66.07 Favored 'Trans proline' 0 N--CA 1.447 -1.222 0 C-N-CA 124.298 3.332 . . . . 1.0 109.637 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.64 -77.22 0.57 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 1.0 109.317 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -54.26 133.18 61.11 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 1.0 109.292 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.22 141.74 0.27 Allowed 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.288 3.325 . . . . 1.0 109.625 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.858 HG11 ' CGA' ' A' ' 233' ' ' HEM . 15.0 m -111.64 141.42 27.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 1.0 109.326 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.482 ' OE1' ' CG2' ' A' ' 17' ' ' THR . 4.4 mm-40 -91.93 129.84 37.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 1.0 110.284 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.797 HG22 ' O1D' ' A' ' 233' ' ' HEM . 92.7 t -102.67 68.94 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 1.0 109.319 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -47.82 147.23 2.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 1.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.51 -134.5 3.47 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.516 1.135 . . . . 1.0 110.99 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.9 p -72.76 -59.21 2.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 0.786 . . . . 1.0 109.966 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -148.72 32.4 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 1.0 110.295 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' HD3' ' N ' ' A' ' 17' ' ' THR . 0.0 OUTLIER -154.74 155.85 35.28 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 1.0 109.288 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.482 ' CG2' ' OE1' ' A' ' 10' ' ' GLU . 1.1 m -125.88 132.21 52.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 1.0 110.42 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 44.2 t -122.52 115.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 1.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmm -63.16 151.33 40.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.437 1.085 . . . . 1.0 111.028 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 29.1 t80 -142.21 110.9 5.98 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.498 1.124 . . . . 1.0 110.996 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.602 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 45.2 Cg_endo -83.19 128.49 4.94 Favored 'Trans proline' 0 N--CA 1.447 -1.263 0 C-N-CA 124.343 3.362 . . . . 1.0 109.629 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.1 m80 -82.36 -40.16 21.75 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 124.195 0.934 . . . . 1.0 109.806 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.966 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.48 -69.68 0.21 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 1.0 109.303 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.966 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 79.0 Cg_exo -34.15 -42.09 0.25 Allowed 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.364 3.376 . . . . 1.0 109.538 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.5 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 71.1 m80 -95.44 50.58 1.25 Allowed 'General case' 0 CA--C 1.539 0.535 0 O-C-N 124.117 0.886 . . . . 1.0 109.766 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.7 pt-20 -107.24 43.79 1.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 1.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.1 tmtt? -143.01 -47.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 1.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 9.1 t -60.29 143.11 14.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 1.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.462 ' CG ' ' OG1' ' A' ' 32' ' ' THR . 0.2 OUTLIER -45.0 171.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 1.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.5 t -100.6 22.38 11.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 1.0 108.325 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -125.43 -40.71 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 1.0 109.284 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.462 ' OG1' ' CG ' ' A' ' 29' ' ' GLU . 2.4 m -42.03 -48.67 4.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 1.0 110.38 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 17.3 m -86.77 -56.6 3.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 1.0 108.352 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -86.52 76.49 9.58 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.727 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.439 ' HB2' ' NE2' ' A' ' 76' ' ' HIS . 5.8 p80 -64.92 155.09 35.47 Favored 'General case' 0 CA--C 1.54 0.583 0 O-C-N 124.126 0.891 . . . . 1.0 109.769 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 29.1 mt -76.67 150.99 36.31 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 109.315 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG12 ' HE3' ' A' ' 40' ' ' LYS . 3.0 t -111.43 97.25 5.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 1.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.3 t70 59.55 49.89 8.0 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 1.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.85 35.34 82.15 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.519 1.137 . . . . 1.0 110.988 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HE3' HG12 ' A' ' 37' ' ' VAL . 0.3 OUTLIER -135.4 127.55 29.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 0.757 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -63.12 140.5 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 1.0 110.29 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.631 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -151.61 162.91 40.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 1.0 109.98 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.7 m-85 -157.29 42.89 0.33 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.898 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.81 175.02 6.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 1.0 109.289 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.625 ' O ' HMC1 ' A' ' 251' ' ' HEM . 2.3 mttt -53.18 158.06 1.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 1.0 109.278 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.579 ' O ' HD13 ' A' ' 64' ' ' LEU . 58.3 m -88.26 27.91 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 1.0 108.266 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.51 56.83 0.24 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.107 . . . . 1.0 111.013 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.443 ' O ' ' C ' ' A' ' 49' ' ' SER . 1.4 m -101.69 148.07 25.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 0.751 . . . . 1.0 110.0 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 48' ' ' SER . 1.0 OUTLIER -36.23 127.18 0.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 1.0 109.981 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 96.99 -36.51 3.86 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 1.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.444 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.7 m -90.66 -148.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.303 -0.999 . . . . 1.0 108.303 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 17.4 m-70 -66.18 59.91 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.988 -1.006 . . . . 1.0 109.735 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -70.76 -43.19 69.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 1.0 109.278 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.815 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 17.6 t70 -61.13 130.26 45.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 1.0 109.339 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 54' ' ' ASP . 2.6 mt -125.93 11.83 7.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 1.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p -116.77 -58.17 2.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.368 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.815 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -42.7 149.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 1.0 109.327 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 66' ' ' TYR . 2.9 mttt -86.53 -72.45 0.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 1.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.25 152.04 22.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 1.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 133.27 140.39 4.37 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 1.0 110.983 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -75.23 -0.98 21.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 0.785 . . . . 1.0 110.317 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -105.15 4.53 31.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 1.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.557 ' O ' ' CG1' ' A' ' 67' ' ' VAL . 0.1 OUTLIER -97.06 145.15 26.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 1.0 110.0 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 46' ' ' CYS . 56.3 tp -87.17 -31.29 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 1.0 109.295 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.538 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 45.3 t80 -68.42 -42.04 79.51 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.885 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.615 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 26.4 t80 -64.84 -4.01 3.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-O 118.881 -0.58 . . . . 1.0 109.784 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.725 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.1 m -109.06 19.42 6.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 1.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.3 t -139.87 -49.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.327 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.538 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 1.4 m80 -101.96 39.52 1.46 Allowed 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.79 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -114.91 97.07 6.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 1.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 ptt-85 -92.28 -8.68 44.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 1.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -72.7 -158.17 4.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.541 1.151 . . . . 1.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.03 136.53 33.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 0.747 . . . . 1.0 110.279 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.583 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 1.4 mt -140.07 -170.11 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 1.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.419 ' N ' ' O2A' ' A' ' 251' ' ' HEM . 55.2 mmtt -89.92 -17.5 27.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 1.0 109.292 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.439 ' NE2' ' HB2' ' A' ' 35' ' ' HIS . 29.7 m80 -139.54 -172.5 3.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 1.0 109.661 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.5 m -94.26 136.82 34.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 1.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.45 173.0 7.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 1.0 109.96 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.502 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.5 m -75.96 -70.25 0.45 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 1.0 108.321 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -48.68 -23.3 0.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 1.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.404 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -68.92 -65.27 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 1.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.471 ' O ' HG23 ' A' ' 86' ' ' VAL . 39.3 t -53.37 -48.1 68.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 108.341 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.415 ' CE1' HD13 ' A' ' 97' ' ' LEU . 25.9 m170 -48.5 -50.94 29.7 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.739 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -45.32 71.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 1.0 109.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.745 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 12.8 mttp -68.81 -31.84 71.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.158 . . . . 1.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 82' ' ' CYS . 34.8 t -64.8 -61.75 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 1.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.464 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.6 m -53.39 -21.14 3.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.095 . . . . 1.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.745 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.5 -35.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 1.0 109.331 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -93.21 -36.53 12.56 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 1.0 110.331 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -121.41 93.26 48.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 1.0 109.302 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 63.6 Cg_endo -79.04 11.48 2.58 Favored 'Trans proline' 0 N--CA 1.447 -1.208 0 C-N-CA 124.318 3.346 . . . . 1.0 109.601 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -98.4 -6.13 31.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 1.0 110.353 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.409 ' O ' ' N ' ' A' ' 96' ' ' ASP . 85.8 mt -112.87 0.65 15.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 1.0 109.328 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.464 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -54.39 -29.88 50.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 1.0 109.262 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.06 11.64 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 1.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.3 m-20 -128.45 -44.3 1.39 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 1.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.8 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -104.06 49.83 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 1.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.539 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 162.74 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 1.0 110.432 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.453 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.3 129.67 28.63 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 1.0 110.958 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.3 m -78.84 -50.24 11.6 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.297 -1.001 . . . . 1.0 108.297 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.55 130.5 54.87 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 1.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt 67.36 57.9 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.419 1.074 . . . . 1.0 109.357 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 24.6 p -126.01 164.23 21.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.121 . . . . 1.0 109.959 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 -21.71 43.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 1.0 109.322 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.1 m -91.15 -70.9 0.66 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 1.0 108.293 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 -87.62 112.7 50.3 Favored Pre-proline 0 CA--C 1.539 0.539 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.792 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.288 3.326 . . . . 1.0 109.645 179.853 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.858 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.625 HMC1 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.8 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.914 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.179 0 CA-C-O 122.094 0.95 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 1' ' ' ALA . 51.2 Cg_exo -48.0 176.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.448 -1.184 0 C-N-CA 124.275 3.317 . . . . 1.0 109.611 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' VAL . . . -83.97 118.94 24.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 1.0 109.362 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' ALA . 5.4 p -38.69 127.99 1.15 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 1.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.603 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.1 Cg_exo -56.82 135.12 68.83 Favored 'Trans proline' 0 N--CA 1.447 -1.254 0 C-N-CA 124.346 3.364 . . . . 1.0 109.605 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -104.69 -65.38 1.04 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 1.0 109.29 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.71 125.26 87.22 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 1.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -35.49 137.02 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.363 3.376 . . . . 1.0 109.567 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.4 m -112.83 138.32 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 1.0 109.316 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -86.42 147.24 26.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 1.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.7 t -113.6 60.6 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 1.0 109.267 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.0 mttm -46.11 139.58 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 1.0 109.295 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.27 -126.41 2.64 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.125 . . . . 1.0 111.015 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 p -71.25 -57.96 3.99 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 0.742 . . . . 1.0 109.969 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -158.88 30.64 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 1.0 110.282 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 mttt -139.71 145.8 38.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.105 . . . . 1.0 109.325 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.9 m -119.26 124.91 47.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.434 1.084 . . . . 1.0 110.416 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 42.7 t -126.62 121.05 57.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 1.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.6 mmt -73.42 153.92 40.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 1.0 111.004 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.614 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 46.6 t80 -143.78 95.19 5.82 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.488 1.118 . . . . 1.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -70.48 122.5 8.98 Favored 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.31 3.34 . . . . 1.0 109.611 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 5.2 m80 -75.3 -23.21 57.32 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 124.135 0.897 . . . . 1.0 109.755 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.085 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -47.79 -67.69 0.38 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 1.0 109.295 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.085 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -43.4 -52.64 4.89 Favored 'Trans proline' 0 N--CA 1.446 -1.265 0 C-N-CA 124.305 3.337 . . . . 1.0 109.621 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 44.1 m80 -85.8 54.03 2.98 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.209 0.943 . . . . 1.0 109.74 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.0 mt-10 -95.36 -27.43 15.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 1.0 110.269 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -84.99 -43.63 13.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 1.0 109.333 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.8 t -55.63 123.72 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 1.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.92 151.43 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 1.0 110.289 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.8 m -73.63 -29.92 62.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 1.0 108.278 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 p -67.9 -25.13 31.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.264 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.0 m -63.29 -41.58 98.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 1.0 110.376 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.416 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 12.4 m -97.53 -56.37 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 108.254 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.471 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.1 m-70 -79.96 61.75 3.95 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.058 -0.974 . . . . 1.0 109.752 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 5.8 p80 -42.73 164.98 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.567 0 O-C-N 124.101 0.876 . . . . 1.0 109.75 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.729 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.5 pp -113.13 133.33 55.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 1.0 109.29 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' N ' ' A' ' 39' ' ' GLY . 2.5 t -109.95 149.37 13.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 42.08 28.76 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 1.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.729 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 56.35 40.4 85.29 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.145 . . . . 1.0 110.983 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 41' ' ' GLU . 3.0 mttm -128.63 84.62 2.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 0.737 . . . . 1.0 109.305 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 40' ' ' LYS . 27.5 tt0 -36.59 134.02 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 1.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.601 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.66 170.3 16.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 1.0 110.011 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.601 ' CD1' ' O ' ' A' ' 42' ' ' SER . 46.0 m-85 -153.95 48.91 0.64 Allowed 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.039 -0.982 . . . . 1.0 109.812 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.82 177.82 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 1.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.42 ' O ' ' CMC' ' A' ' 251' ' ' HEM . 0.0 OUTLIER -55.82 161.57 2.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 1.0 109.342 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.477 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 55.8 m -93.5 25.12 3.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 108.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.22 57.77 0.25 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.496 1.122 . . . . 1.0 110.964 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 49' ' ' SER . 3.2 m -103.44 145.86 29.37 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.521 0.777 . . . . 1.0 110.044 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 48' ' ' SER . 3.4 m -36.63 126.26 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.435 1.084 . . . . 1.0 110.002 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.2 3.59 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.522 1.139 . . . . 1.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.465 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -90.37 -146.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.258 -1.016 . . . . 1.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.623 ' CE1' HG11 ' A' ' 67' ' ' VAL . 32.0 m-70 -65.71 60.61 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.757 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -81.73 -10.86 59.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 1.0 109.276 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 63' ' ' SER . 8.9 t0 -92.6 111.69 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 1.0 109.329 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.1 mt -102.79 -37.02 8.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.118 . . . . 1.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 58.5 m -63.88 -60.88 2.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 1.0 110.411 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.48 158.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.68 -65.08 1.0 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 1.0 109.365 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.583 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 1.3 mmtp -94.42 164.81 12.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 1.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.96 147.75 8.02 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.507 1.129 . . . . 1.0 110.988 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -71.52 -5.33 32.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 0.792 . . . . 1.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.49 8.43 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 1.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -97.02 137.63 35.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 1.0 109.955 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 46' ' ' CYS . 43.9 tp -82.29 -27.25 32.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 1.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.806 ' CE2' ' CE1' ' A' ' 69' ' ' HIS . 17.4 t80 -78.15 -42.98 30.06 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.008 -0.996 . . . . 1.0 109.839 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.583 ' CE1' ' HD3' ' A' ' 59' ' ' LYS . 36.1 t80 -59.72 -13.77 11.42 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 118.878 -0.582 . . . . 1.0 109.814 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 68' ' ' VAL . 30.9 m -115.84 48.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 67' ' ' VAL . 41.1 t -160.4 -50.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 1.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.806 ' CE1' ' CE2' ' A' ' 65' ' ' TYR . 50.6 m80 -91.57 -44.93 8.78 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.774 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' C ' ' O ' ' A' ' 69' ' ' HIS . . . -35.49 111.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 1.0 109.277 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -100.08 0.07 40.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 1.0 110.325 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -79.02 -158.66 13.26 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 1.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.56 137.93 31.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 0.786 . . . . 1.0 110.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mt -141.47 -168.72 2.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -84.82 -24.79 28.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 109.312 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.548 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 67.0 m-70 -130.42 -172.6 2.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 109.605 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -101.93 122.84 44.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 1.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 5.3 m -84.42 171.96 12.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 1.0 110.021 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.572 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 1.5 m -69.0 -73.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 1.0 108.276 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' CYS . 2.7 mp -40.42 -33.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 1.0 109.301 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.44 -65.15 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.446 ' O ' ' N ' ' A' ' 85' ' ' LYS . 50.9 t -53.66 -61.36 2.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 1.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.754 ' O ' HG22 ' A' ' 87' ' ' VAL . 36.4 m170 -36.45 -49.49 0.73 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.037 -0.983 . . . . 1.0 109.751 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.8 t -55.87 -49.26 73.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 1.0 110.039 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.702 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 13.4 mttp -65.81 -32.83 74.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.137 . . . . 1.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 88' ' ' ALA . 2.7 t -66.63 -66.44 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 1.0 109.305 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.785 HG11 ' HA ' ' A' ' 94' ' ' LYS . 16.3 m -50.41 -22.2 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 1.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.44 -36.54 0.88 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 1.0 109.311 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -88.66 -40.92 12.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 1.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.9 91.57 39.68 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.173 . . . . 1.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.41 7.29 3.48 Favored 'Trans proline' 0 N--CA 1.447 -1.253 0 C-N-CA 124.26 3.306 . . . . 1.0 109.642 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.85 -3.69 32.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 1.0 110.279 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 93' ' ' LEU . 11.3 mt -114.62 0.04 13.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 1.0 109.345 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.785 ' HA ' HG11 ' A' ' 87' ' ' VAL . 4.4 ttpt -58.05 -47.63 82.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 1.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.7 tmmm? -54.04 -19.79 5.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.336 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.726 ' C ' HD23 ' A' ' 97' ' ' LEU . 7.9 m-20 -101.29 -42.27 6.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 1.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.767 HD23 ' N ' ' A' ' 97' ' ' LEU . 0.3 OUTLIER -105.79 53.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 1.0 109.333 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.92 -28.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 1.0 110.444 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -53.33 128.23 38.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.472 1.107 . . . . 1.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 47.5 m -76.95 -49.37 15.68 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.31 -0.996 . . . . 1.0 108.31 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -109.99 137.75 47.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.59 1.181 . . . . 1.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.18 51.49 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 1.0 109.328 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 62.3 p -122.7 164.12 18.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 1.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -31.09 21.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 1.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 58.5 m -82.66 -72.18 0.46 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 1.0 108.33 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -83.55 113.55 47.65 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.731 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo . . . . . 0 N--CA 1.448 -1.196 0 C-N-CA 124.276 3.317 . . . . 1.0 109.565 179.862 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.614 ' CHD' ' CZ ' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.434 ' C3A' ' HB ' ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.626 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.523 HBC1 ' HE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.181 0 CA-C-O 122.102 0.953 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.436 ' HG3' ' CG ' ' A' ' 43' ' ' TYR . 9.3 Cg_endo -48.66 173.19 0.04 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.242 0 C-N-CA 124.374 3.383 . . . . 1.0 109.594 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.85 136.9 33.94 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 1.0 109.358 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.5 p -60.81 122.79 71.25 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 1.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.652 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 53.8 Cg_exo -56.02 138.11 81.38 Favored 'Trans proline' 0 N--CA 1.447 -1.248 0 C-N-CA 124.338 3.359 . . . . 1.0 109.594 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.42 -67.81 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 1.0 109.316 -179.91 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.444 ' N ' ' CG ' ' A' ' 6' ' ' ASP . 22.6 pttt -56.63 125.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 1.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -36.33 123.62 0.33 Allowed 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.36 3.374 . . . . 1.0 109.559 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.863 HG11 ' CGA' ' A' ' 233' ' ' HEM . 35.8 m -99.7 144.17 12.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 1.0 109.312 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.403 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.9 pt-20 -95.62 140.83 29.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 1.0 110.371 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 11' ' ' VAL . 81.1 t -107.27 64.64 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 1.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.24 144.64 3.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 1.0 109.285 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -134.14 -124.66 2.5 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.116 . . . . 1.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 10.9 p -78.86 -50.9 10.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 1.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.26 27.35 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 1.0 110.346 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -137.41 154.52 49.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 1.0 109.265 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 10' ' ' GLU . 20.5 m -128.49 128.06 43.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 1.0 110.397 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.0 t -129.18 122.43 56.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 1.0 109.293 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.5 mmt -73.62 150.91 41.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 1.0 111.007 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.478 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 46.1 t80 -141.9 93.23 7.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 1.0 110.976 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HB2' ' CD ' ' A' ' 24' ' ' PRO . 8.2 Cg_exo -72.12 120.0 6.53 Favored 'Trans proline' 0 N--CA 1.447 -1.212 0 C-N-CA 124.293 3.329 . . . . 1.0 109.62 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.498 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 5.9 m80 -70.8 -25.46 62.87 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.178 0.924 . . . . 1.0 109.789 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.038 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -46.43 -67.05 0.42 Allowed Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.545 1.153 . . . . 1.0 109.349 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.038 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 52.6 Cg_exo -44.32 -41.21 13.42 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.313 3.342 . . . . 1.0 109.585 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 30.7 m80 -99.78 54.18 0.93 Allowed 'General case' 0 CA--C 1.54 0.588 0 O-C-N 124.132 0.895 . . . . 1.0 109.706 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.1 tm-20 -114.56 39.89 2.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 1.0 110.271 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.47 -46.37 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 1.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.542 HG11 HG21 ' A' ' 32' ' ' THR . 17.5 t -69.73 138.68 21.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 1.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -52.62 156.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 1.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 34' ' ' HIS . 2.4 m -75.81 -28.63 58.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 1.0 108.299 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.09 -24.18 35.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.159 . . . . 1.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.542 HG21 HG11 ' A' ' 28' ' ' VAL . 26.4 m -62.55 -50.98 69.19 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.552 1.158 . . . . 1.0 110.399 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.0 m -91.33 -54.6 3.85 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 1.0 108.276 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.495 ' N ' ' O ' ' A' ' 30' ' ' CYS . 97.7 m-70 -80.27 78.93 6.91 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 115.011 -0.995 . . . . 1.0 109.769 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 4.7 p80 -63.05 155.34 28.0 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.134 0.896 . . . . 1.0 109.77 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.4 mt -74.3 146.32 43.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -106.2 104.75 17.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.557 1.16 . . . . 1.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.34 43.7 28.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.552 1.157 . . . . 1.0 109.34 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.31 36.72 93.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.45 1.094 . . . . 1.0 111.005 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.6 mttt -142.78 124.45 14.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.528 0.781 . . . . 1.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.42 ' HG2' ' N ' ' A' ' 42' ' ' SER . 1.0 OUTLIER -52.1 139.75 22.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 1.0 110.307 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.634 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -150.16 160.72 43.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 1.0 110.002 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 42' ' ' SER . 48.9 m-85 -156.44 45.94 0.43 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.01 -0.995 . . . . 1.0 109.83 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -96.64 174.62 6.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.148 . . . . 1.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -50.63 159.81 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 1.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.469 ' O ' HD13 ' A' ' 64' ' ' LEU . 57.0 m -94.86 24.23 4.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 1.0 108.263 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.17 57.91 0.24 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.572 1.17 . . . . 1.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.69 152.99 21.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 1.0 109.993 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -42.79 124.74 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 1.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.14 -36.52 4.14 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.442 1.089 . . . . 1.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.449 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.9 m -92.01 -146.47 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 46' ' ' CYS . 33.4 m-70 -65.77 60.35 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.985 -1.007 . . . . 1.0 109.719 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -69.24 -38.15 78.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 109.314 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.445 ' OD1' ' HB2' ' A' ' 57' ' ' ALA . 31.2 t0 -72.97 124.96 26.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 1.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.35 4.96 11.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 1.0 109.322 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 91.2 m -103.3 -54.17 2.66 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 1.0 110.372 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.665 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -45.4 151.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 1.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.72 -32.01 10.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 1.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -118.63 146.17 44.87 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 1.0 109.364 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 125.7 144.32 6.19 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.462 1.101 . . . . 1.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -74.31 -1.95 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 1.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -103.75 7.08 37.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.665 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -99.36 147.6 25.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.157 . . . . 1.0 109.995 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 46' ' ' CYS . 53.2 tp -91.51 -24.82 19.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 1.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.441 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 49.7 t80 -76.21 -39.85 53.63 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.99 -1.005 . . . . 1.0 109.796 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.598 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 31.4 t80 -67.58 -1.86 5.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 118.956 -0.545 . . . . 1.0 109.832 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 67' ' ' VAL . 1.5 m -114.37 17.32 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 1.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.4 t -135.21 -49.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.137 . . . . 1.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.441 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 1.8 m80 -102.4 38.48 1.68 Allowed 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.756 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.598 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -109.29 99.56 8.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.09 . . . . 1.0 109.308 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.27 -8.15 43.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 1.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.21 -159.28 10.33 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.53 1.144 . . . . 1.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -93.02 136.46 33.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 0.734 . . . . 1.0 110.331 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.589 HD11 ' CB ' ' A' ' 70' ' ' ALA . 2.7 mt -141.05 -169.13 2.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 1.0 109.281 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.19 -22.86 26.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 1.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.554 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 60.3 m-70 -134.85 -174.15 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.612 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.3 m -96.22 128.97 43.61 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 1.0 110.405 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.477 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 69.9 m -91.63 169.05 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 1.0 109.969 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.436 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -67.86 -63.66 1.02 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 1.0 108.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.9 tp -49.05 -22.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 1.0 109.28 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -74.56 -49.39 22.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 1.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.586 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 35.9 t -92.49 30.55 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 1.0 108.273 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.495 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.5 m170 -130.34 -51.88 1.1 Allowed 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.047 -0.979 . . . . 1.0 109.769 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' HG22 ' A' ' 87' ' ' VAL . 52.9 p -69.39 -27.28 65.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 1.0 110.024 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.558 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 23.2 mttt -89.37 -30.67 18.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 1.0 109.341 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 5.6 t -61.05 -40.95 87.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 1.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG11 ' HA ' ' A' ' 94' ' ' LYS . 30.4 m -63.97 -20.58 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 1.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.558 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.66 -38.02 4.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 1.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -96.34 -26.92 15.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 1.0 110.302 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.93 84.1 54.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 1.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -75.5 8.84 2.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.309 3.34 . . . . 1.0 109.568 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -98.15 -5.43 33.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 1.0 110.334 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 68.2 mt -113.79 1.29 14.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 1.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.457 ' HA ' HG11 ' A' ' 87' ' ' VAL . 1.0 OUTLIER -56.37 -18.16 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 1.0 109.27 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -109.42 37.62 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 1.0 109.314 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -155.84 -44.34 0.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.484 1.115 . . . . 1.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.934 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -99.41 24.04 8.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 1.0 109.31 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.708 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.6 OUTLIER -162.23 -43.2 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 1.0 110.423 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -36.61 127.59 1.03 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 1.0 110.981 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 83.0 m -75.41 -43.55 49.33 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -115.22 135.29 54.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 1.0 109.318 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.11 51.14 0.74 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 1.0 109.32 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 10.1 p -121.28 165.15 15.88 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.492 1.12 . . . . 1.0 110.019 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.71 -20.69 8.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 1.0 109.296 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.427 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.3 m -96.12 -71.82 0.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 1.0 108.249 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -87.5 111.36 41.09 Favored Pre-proline 0 CA--C 1.54 0.562 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.777 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.427 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 47.0 Cg_exo . . . . . 0 N--CA 1.447 -1.237 0 C-N-CA 124.282 3.321 . . . . 1.0 109.614 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.863 ' CGA' HG11 ' A' ' 9' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.416 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.934 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.923 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.055 0.931 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo -52.26 169.47 0.3 Allowed 'Trans proline' 0 N--CA 1.448 -1.191 0 C-N-CA 124.243 3.295 . . . . 1.0 109.64 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.91 131.7 39.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 1.0 109.294 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.453 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -63.18 122.35 74.91 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 1.0 109.253 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.558 ' HD3' ' CHB' ' A' ' 233' ' ' HEM . 74.6 Cg_exo -53.97 138.72 70.22 Favored 'Trans proline' 0 N--CA 1.448 -1.19 0 C-N-CA 124.322 3.348 . . . . 1.0 109.588 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.67 -60.45 1.54 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 1.0 109.319 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.55 138.72 80.65 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 1.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -44.55 139.02 7.42 Favored 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.305 3.337 . . . . 1.0 109.59 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 m -108.73 139.06 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 1.0 109.27 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -82.14 126.9 32.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 1.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.519 ' O ' HG12 ' A' ' 11' ' ' VAL . 97.9 t -96.88 57.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 1.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -43.88 140.84 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.102 . . . . 1.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -133.73 -129.7 2.97 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.549 1.156 . . . . 1.0 110.949 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 18.7 p -71.54 -58.9 3.08 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 0.75 . . . . 1.0 110.02 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -156.33 35.28 0.33 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.7 mttt -147.22 149.1 32.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 1.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 56.9 m -123.34 127.45 48.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 1.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.79 106.59 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 1.0 109.299 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.411 ' O ' ' HG3' ' A' ' 19' ' ' MET . 6.1 ptt? -63.54 138.63 58.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 1.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -133.74 122.08 16.42 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 1.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.598 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.5 Cg_endo -87.61 140.1 5.1 Favored 'Trans proline' 0 N--CA 1.446 -1.283 0 C-N-CA 124.347 3.365 . . . . 1.0 109.586 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.5 m80 -89.39 -39.52 13.35 Favored 'General case' 0 CA--C 1.54 0.586 0 O-C-N 124.141 0.901 . . . . 1.0 109.739 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.995 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.59 -71.67 0.14 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.283 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.995 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 77.3 Cg_exo -37.49 -34.01 0.23 Allowed 'Trans proline' 0 N--CA 1.447 -1.262 0 C-N-CA 124.346 3.364 . . . . 1.0 109.598 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.529 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 73.6 m80 -104.05 49.73 0.81 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.141 0.901 . . . . 1.0 109.751 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 5.1 tt0 -111.04 42.55 1.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.115 . . . . 1.0 110.238 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.17 -46.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 1.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.675 ' CG1' HG21 ' A' ' 32' ' ' THR . 3.8 t -60.62 134.78 25.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 109.258 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 28' ' ' VAL . 5.8 mt-10 -39.24 159.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 1.0 110.274 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 4.2 t -88.73 10.46 20.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -118.84 -5.32 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.532 1.145 . . . . 1.0 109.305 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.675 HG21 ' CG1' ' A' ' 28' ' ' VAL . 3.3 m -73.66 -44.42 56.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 1.0 110.383 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -93.88 -59.27 2.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 1.0 108.342 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -78.95 81.17 5.25 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 114.959 -1.019 . . . . 1.0 109.786 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.591 ' HB3' ' CD2' ' A' ' 76' ' ' HIS . 11.6 p80 -71.48 149.8 45.48 Favored 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.154 0.909 . . . . 1.0 109.766 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -64.85 152.52 42.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 1.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.641 HG21 HBC2 ' A' ' 251' ' ' HEM . 2.1 t -108.4 101.27 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 1.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t0 58.18 43.25 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.562 1.164 . . . . 1.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 63.09 33.91 88.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.54 1.15 . . . . 1.0 111.065 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -138.06 118.74 14.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 0.761 . . . . 1.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -44.92 134.34 5.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 1.0 110.31 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.641 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -153.79 160.73 42.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 1.0 110.037 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.641 ' CD1' ' O ' ' A' ' 42' ' ' SER . 34.7 m-85 -155.07 30.26 0.4 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.053 -0.976 . . . . 1.0 109.845 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.93 -177.32 3.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 1.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.551 ' O ' HMC1 ' A' ' 251' ' ' HEM . 0.1 OUTLIER -66.12 144.32 56.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.13 . . . . 1.0 109.32 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.436 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 85.2 m -61.49 -32.83 72.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 1.0 108.276 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -112.47 57.62 0.43 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.496 1.122 . . . . 1.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.5 m -93.89 139.86 30.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 1.0 109.998 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 48' ' ' SER . 8.2 t -37.97 119.1 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 1.0 110.015 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.44 -32.05 7.32 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.528 1.142 . . . . 1.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.507 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.7 m -97.47 -142.1 0.29 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.25 -1.019 . . . . 1.0 108.25 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.611 ' CE1' HG11 ' A' ' 67' ' ' VAL . 43.4 m-70 -64.4 62.05 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.79 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -68.56 -50.27 53.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 1.0 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -59.75 122.9 15.33 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 1.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.4 OUTLIER -116.01 7.49 14.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 1.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 96.9 m -107.97 -60.0 1.77 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 1.0 110.392 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.559 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.02 146.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.64 -28.9 12.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 1.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.34 140.68 47.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 1.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 126.4 141.78 5.55 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.483 1.114 . . . . 1.0 110.954 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.42 -1.41 20.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 0.748 . . . . 1.0 110.297 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.65 7.78 35.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 1.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.559 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.5 OUTLIER -99.61 141.36 32.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 1.0 109.983 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.444 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 68.2 tp -83.63 -21.44 32.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 1.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 69' ' ' HIS . 36.8 t80 -78.59 -41.7 31.1 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.999 -1.001 . . . . 1.0 109.847 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.653 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 22.3 t80 -66.03 -7.59 18.21 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 118.951 -0.547 . . . . 1.0 109.829 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.611 HG11 ' CE1' ' A' ' 52' ' ' HIS . 10.7 m -111.87 35.78 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 1.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.502 HG23 ' C ' ' A' ' 67' ' ' VAL . 91.9 t -156.87 -47.48 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.504 ' HB2' ' CE1' ' A' ' 65' ' ' TYR . 3.8 m80 -101.08 26.96 6.46 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.731 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB1' HD11 ' A' ' 74' ' ' LEU . . . -97.94 108.77 21.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 1.0 109.321 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 72' ' ' GLY . 0.0 OUTLIER -92.28 -32.66 14.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 1.0 110.302 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 71' ' ' ARG . . . -56.57 -160.07 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.44 1.087 . . . . 1.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.406 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 1.5 tt0 -100.99 142.14 32.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 1.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.714 HD11 ' HB1' ' A' ' 70' ' ' ALA . 2.0 mt -143.41 -171.81 3.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 1.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.8 -26.01 62.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 1.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.591 ' CD2' ' HB3' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -131.93 -167.55 1.89 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 1.0 109.612 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.56 124.29 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.439 1.087 . . . . 1.0 110.394 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.406 ' OG ' ' N ' ' A' ' 79' ' ' CYS . 0.1 OUTLIER -74.5 176.3 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 1.0 110.014 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.569 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.3 m -76.65 -60.11 2.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 1.0 108.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.439 HD23 ' O ' ' A' ' 80' ' ' LEU . 9.8 tt -56.93 -22.39 37.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 1.0 109.289 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -69.21 -53.55 19.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 1.0 109.3 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.95 -57.4 10.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.456 1.097 . . . . 1.0 108.265 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.496 ' CD2' HD12 ' A' ' 97' ' ' LEU . 62.7 m170 -39.62 -51.21 2.27 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.0 -1.0 . . . . 1.0 109.788 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.5 -52.89 43.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 1.0 110.015 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.655 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mtpt -64.04 -31.16 72.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 39.7 t -67.74 -59.01 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 1.0 109.365 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.2 m -55.57 -19.11 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 1.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.6 -40.58 5.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 1.0 109.271 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.417 ' CG ' ' HG2' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -84.28 -43.51 14.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 1.0 110.264 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.417 ' HG2' ' CG ' ' A' ' 89' ' ' GLU . 2.1 mmmt -117.17 95.26 46.87 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 1.0 109.33 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -80.65 15.56 1.76 Allowed 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.325 3.35 . . . . 1.0 109.587 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -99.69 -7.55 25.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 1.0 110.334 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.552 ' HB3' HD23 ' A' ' 97' ' ' LEU . 61.2 mt -109.02 -1.06 19.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.306 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -54.26 -27.57 35.92 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 1.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.426 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.7 15.3 13.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 93' ' ' LEU . 79.6 m-20 -134.65 -44.98 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 1.0 109.314 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.019 HD11 ' CHA' ' A' ' 282' ' ' HEM . 3.6 mm? -96.21 30.59 2.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 1.0 109.289 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.918 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -177.4 -37.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 1.0 110.39 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.488 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -36.36 130.75 0.92 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.442 1.089 . . . . 1.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 56.4 m -81.34 -45.54 16.01 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.273 -1.01 . . . . 1.0 108.273 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -110.67 131.53 54.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 1.0 109.309 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 33.1 mttt 67.1 51.23 0.95 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 12.9 p -119.65 163.24 17.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 1.0 110.006 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.457 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 14.7 mmmt -55.27 -22.98 20.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -92.44 -74.55 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 1.0 108.292 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -85.92 112.19 43.4 Favored Pre-proline 0 CA--C 1.54 0.568 0 CA-C-N 115.003 -0.999 . . . . 1.0 109.794 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 N--CA 1.447 -1.24 0 C-N-CA 124.301 3.334 . . . . 1.0 109.631 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.558 ' CHB' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.641 HBC2 HG21 ' A' ' 37' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 1.019 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.853 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.9 Cg_endo -51.14 172.27 0.11 Allowed 'Trans proline' 0 N--CA 1.446 -1.272 0 C-N-CA 124.351 3.368 . . . . 1.0 109.628 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -90.11 117.9 29.23 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.149 . . . . 1.0 109.311 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.2 p -40.1 127.38 1.66 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 1.0 109.293 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.492 ' HD3' ' CHB' ' A' ' 233' ' ' HEM . 50.2 Cg_exo -58.12 145.18 93.45 Favored 'Trans proline' 0 N--CA 1.448 -1.197 0 C-N-CA 124.296 3.331 . . . . 1.0 109.578 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.21 -60.14 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 1.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttm -69.71 135.12 88.06 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.145 . . . . 1.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -45.28 149.19 1.6 Allowed 'Trans proline' 0 N--CA 1.447 -1.228 0 C-N-CA 124.367 3.378 . . . . 1.0 109.564 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 m -120.05 143.88 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.107 . . . . 1.0 109.327 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.556 ' HB2' HG23 ' A' ' 17' ' ' THR . 2.0 pt-20 -88.45 137.94 31.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 1.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.528 ' O ' HG12 ' A' ' 11' ' ' VAL . 86.6 t -104.49 59.21 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 1.0 109.322 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -44.05 143.32 1.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.4 -123.46 2.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.466 1.104 . . . . 1.0 111.028 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 p -74.71 -55.58 5.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 0.763 . . . . 1.0 110.02 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -156.84 24.31 0.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 1.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 mttp -132.68 157.21 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.454 1.096 . . . . 1.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.556 HG23 ' HB2' ' A' ' 10' ' ' GLU . 3.9 m -135.08 108.79 8.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 1.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -107.08 118.61 55.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 1.0 109.349 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 1.3 mmt -70.43 149.85 46.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 1.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -140.87 118.41 7.91 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.46 1.1 . . . . 1.0 111.013 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.52 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 44.8 Cg_endo -86.25 128.68 3.15 Favored 'Trans proline' 0 N--CA 1.447 -1.234 0 C-N-CA 124.284 3.323 . . . . 1.0 109.583 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -83.62 -33.9 25.21 Favored 'General case' 0 CA--C 1.539 0.556 0 O-C-N 124.14 0.9 . . . . 1.0 109.751 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.019 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.78 -71.23 0.17 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 1.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.019 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 60.5 Cg_exo -38.19 -31.66 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.642 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -104.07 51.07 0.78 Allowed 'General case' 0 CA--C 1.54 0.576 0 O-C-N 124.159 0.912 . . . . 1.0 109.748 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.441 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -110.87 40.22 2.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 1.0 110.32 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.35 -46.94 0.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.537 1.148 . . . . 1.0 109.246 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 29' ' ' GLU . 3.3 t -60.29 143.61 14.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 1.0 109.324 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' O ' ' O ' ' A' ' 28' ' ' VAL . 6.4 mt-10 -46.1 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 1.0 110.303 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.2 t -102.01 10.04 39.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 108.319 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.19 -3.61 9.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.436 1.085 . . . . 1.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 94.0 m -72.59 -45.78 57.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.575 1.172 . . . . 1.0 110.386 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 13.0 m -94.53 -58.44 2.19 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 108.316 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -76.7 73.52 3.37 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.028 -0.987 . . . . 1.0 109.784 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.405 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 7.2 p80 -58.57 154.4 14.33 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 124.221 0.951 . . . . 1.0 109.75 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.3 mt -79.01 151.0 31.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 1.0 109.29 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.7 t -114.6 97.31 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 1.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 58.7 51.61 7.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 1.0 109.333 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 54.48 42.29 75.17 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.496 1.123 . . . . 1.0 110.986 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.28 111.19 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 0.77 . . . . 1.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG2' ' N ' ' A' ' 42' ' ' SER . 3.9 tt0 -53.25 140.36 26.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 1.0 110.278 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.624 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -153.06 164.3 38.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 1.0 110.044 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.624 ' CD1' ' O ' ' A' ' 42' ' ' SER . 50.0 m-85 -155.5 30.96 0.38 Allowed 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.043 -0.981 . . . . 1.0 109.798 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.15 177.11 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 1.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' O ' HMC1 ' A' ' 251' ' ' HEM . 5.7 mttm -59.29 141.51 54.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 1.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.415 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 75.2 m -61.36 -32.02 71.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.13 . . . . 1.0 108.321 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -113.67 57.86 0.44 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.559 1.162 . . . . 1.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 49' ' ' SER . 4.9 m -94.38 143.69 26.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 0.787 . . . . 1.0 109.987 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' SER . 53.4 p -38.39 125.89 1.36 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 1.0 110.013 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.28 -38.95 2.91 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.465 1.103 . . . . 1.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.466 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.3 m -89.84 -142.51 0.15 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.572 ' CE1' HG11 ' A' ' 67' ' ' VAL . 38.7 m-70 -65.38 59.16 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.781 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.511 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.8 OUTLIER -70.35 -49.38 49.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 1.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.432 ' OD2' ' HB2' ' A' ' 57' ' ' ALA . 38.9 t0 -61.64 120.77 11.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 1.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -116.24 3.27 13.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 1.0 109.3 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 57' ' ' ALA . 92.3 m -102.65 -58.65 1.84 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.468 1.105 . . . . 1.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' ' OD2' ' A' ' 54' ' ' ASP . . . -39.22 157.1 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 1.0 109.339 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -94.26 -58.83 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.535 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -102.43 156.66 17.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 1.0 109.356 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 131.28 139.88 4.49 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 1.0 110.967 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.47 -4.8 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.757 . . . . 1.0 110.254 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -109.34 9.9 25.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 1.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.43 138.65 35.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 1.0 109.953 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD23 ' O1D' ' A' ' 305' ' ' HEM . 49.4 tp -80.54 -35.59 34.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 1.0 109.26 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -64.69 -43.53 93.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.034 -0.985 . . . . 1.0 109.816 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.557 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 18.7 t80 -61.82 -15.96 46.15 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.919 -0.562 . . . . 1.0 109.856 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.612 HG12 ' O1A' ' A' ' 251' ' ' HEM . 16.2 m -112.81 43.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.133 . . . . 1.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.628 HG12 ' CE1' ' A' ' 69' ' ' HIS . 39.6 t -152.03 -49.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 1.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.628 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.7 m80 -110.17 40.97 1.83 Allowed 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.012 -0.994 . . . . 1.0 109.779 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.713 ' HB3' ' OG ' ' A' ' 78' ' ' SER . . . -108.2 114.87 29.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 1.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -106.73 1.79 25.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 1.0 110.322 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -84.5 -162.2 34.37 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.517 1.136 . . . . 1.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.427 ' C ' ' HG ' ' A' ' 74' ' ' LEU . 13.2 pt-20 -97.56 137.01 37.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 0.758 . . . . 1.0 110.3 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' HG ' ' C ' ' A' ' 73' ' ' GLU . 1.0 OUTLIER -140.94 -167.45 2.38 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 1.0 109.265 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -79.26 -23.61 43.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 1.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 78.0 m-70 -137.1 -177.91 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 1.0 109.621 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -80.96 129.51 34.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 1.0 110.43 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.713 ' OG ' ' HB3' ' A' ' 70' ' ' ALA . 0.2 OUTLIER -69.36 179.54 1.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 1.0 109.977 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.433 ' HB3' ' HA ' ' A' ' 68' ' ' VAL . 40.8 t -83.12 -62.12 1.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 1.0 108.283 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.661 HD11 ' HA ' ' A' ' 98' ' ' THR . 5.3 tp -66.44 -8.91 29.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 1.0 109.278 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.06 72.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 1.0 109.334 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.598 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 14.9 t -93.03 34.17 1.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 1.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 1.016 ' CE1' HD13 ' A' ' 97' ' ' LEU . 1.6 m-70 -141.13 -43.79 0.38 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.723 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 41.5 t -73.54 -19.25 60.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.083 . . . . 1.0 110.021 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.596 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 4.7 mttp -99.62 -38.31 8.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.67 -38.65 22.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 1.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.623 HG11 ' HA ' ' A' ' 94' ' ' LYS . 17.2 m -65.89 -23.69 32.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 1.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.596 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -43.48 -32.07 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 1.0 109.348 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.93 -35.16 12.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 1.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 17.2 mtpt -122.88 85.8 50.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 1.0 109.278 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -72.08 5.51 2.6 Favored 'Trans proline' 0 N--CA 1.448 -1.204 0 C-N-CA 124.302 3.335 . . . . 1.0 109.591 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.41 -4.24 38.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 1.0 110.297 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.462 HD13 ' CGD' ' A' ' 282' ' ' HEM . 21.6 mt -112.45 -1.04 15.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 1.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.623 ' HA ' HG11 ' A' ' 87' ' ' VAL . 11.8 tttm -54.93 -30.56 58.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.479 1.112 . . . . 1.0 109.283 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -92.98 36.62 1.03 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 1.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -155.86 -43.95 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 1.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 1.016 HD13 ' CE1' ' A' ' 83' ' ' HIS . 0.1 OUTLIER -102.69 48.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 109.28 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.661 ' HA ' HD11 ' A' ' 80' ' ' LEU . 0.9 OUTLIER 165.09 -28.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 1.0 110.377 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.467 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -47.26 131.0 14.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.556 1.16 . . . . 1.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 31.1 m -77.3 -51.26 11.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.296 -1.001 . . . . 1.0 108.296 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.54 132.39 53.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 1.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 mttm 65.49 58.12 0.85 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 1.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 30.3 p -126.34 165.2 19.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 1.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.471 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 9.3 mmmt -58.19 -16.98 15.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 1.0 109.32 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 56.6 m -96.4 -73.04 0.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 1.0 108.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -82.94 113.71 47.47 Favored Pre-proline 0 CA--C 1.54 0.583 0 CA-C-N 115.021 -0.99 . . . . 1.0 109.704 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.447 -1.221 0 C-N-CA 124.269 3.313 . . . . 1.0 109.593 179.857 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.492 ' CHB' ' HD3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.612 ' O1A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.793 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.452 ' O1D' HD23 ' A' ' 64' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.106 0.955 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_exo -52.99 178.38 0.05 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.238 0 C-N-CA 124.315 3.343 . . . . 1.0 109.582 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -83.91 117.63 23.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 1.0 109.315 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.418 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.7 p -39.85 127.74 1.55 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 1.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.57 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 54.7 Cg_exo -56.39 138.08 82.61 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 124.322 3.348 . . . . 1.0 109.573 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.03 16.83 9.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 1.0 109.282 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.84 122.37 15.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 1.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -37.68 117.63 0.24 Allowed 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 124.303 3.336 . . . . 1.0 109.609 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.76 141.92 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 1.0 109.309 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -92.49 130.64 38.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 1.0 110.298 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.5 t -98.81 67.6 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 1.0 109.293 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.4 mttp -51.6 139.03 21.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 1.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -131.35 -130.66 3.18 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.548 1.155 . . . . 1.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.3 p -69.5 -55.46 10.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 0.75 . . . . 1.0 110.003 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -160.11 26.83 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 1.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -136.46 152.01 50.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 1.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 35.6 m -124.54 133.59 53.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.094 . . . . 1.0 110.43 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 16.0 t -132.5 108.47 13.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 1.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -66.82 139.73 57.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 1.0 111.034 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 48.6 t80 -128.83 120.19 20.38 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 1.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.633 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 34.4 Cg_endo -88.74 134.08 2.68 Favored 'Trans proline' 0 N--CA 1.447 -1.244 0 C-N-CA 124.318 3.345 . . . . 1.0 109.592 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.57 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -84.65 -38.41 19.87 Favored 'General case' 0 CA--C 1.54 0.563 0 O-C-N 124.124 0.89 . . . . 1.0 109.759 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.021 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.79 -68.86 0.24 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 1.0 109.308 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.021 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.0 Cg_exo -41.47 -33.13 1.54 Allowed 'Trans proline' 0 N--CA 1.447 -1.21 0 C-N-CA 124.316 3.344 . . . . 1.0 109.597 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.711 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 67.8 m80 -107.56 50.68 0.76 Allowed 'General case' 0 CA--C 1.539 0.536 0 O-C-N 124.067 0.854 . . . . 1.0 109.8 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' CD ' ' O ' ' A' ' 26' ' ' GLU . 3.7 tm-20 -112.45 42.36 1.83 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 1.0 110.329 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -143.01 -45.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 1.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.612 ' CG1' HG21 ' A' ' 32' ' ' THR . 45.3 t -58.59 136.8 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 1.0 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 3.4 mt-10 -38.6 158.25 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 1.0 110.327 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.9 t -89.9 11.36 20.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.565 1.166 . . . . 1.0 108.277 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -121.13 -2.42 8.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 1.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.612 HG21 ' CG1' ' A' ' 28' ' ' VAL . 1.3 m -76.83 -45.16 29.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 1.0 110.379 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 60.9 m -91.85 -60.34 1.89 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.168 . . . . 1.0 108.292 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.12 74.29 2.97 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.036 -0.984 . . . . 1.0 109.724 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 2.5 p80 -61.68 148.15 43.61 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 124.156 0.91 . . . . 1.0 109.808 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.0 mt -65.23 150.05 48.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 1.0 109.262 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.8 t -111.68 95.21 3.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 1.0 109.271 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 58.65 51.02 8.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 1.0 109.31 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 58.25 41.37 94.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.486 1.116 . . . . 1.0 111.014 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.87 119.14 7.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 0.754 . . . . 1.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -50.31 138.14 17.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 1.0 110.289 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -149.35 161.5 41.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 1.0 110.001 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.633 ' CD1' ' O ' ' A' ' 42' ' ' SER . 54.5 m-85 -157.88 37.85 0.26 Allowed 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 114.998 -1.001 . . . . 1.0 109.828 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.54 173.18 9.76 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 1.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.644 ' O ' HMC1 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -56.63 153.5 10.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 1.0 109.293 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.548 ' O ' HD13 ' A' ' 64' ' ' LEU . 23.3 m -83.84 32.99 0.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.145 . . . . 1.0 108.291 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -170.51 55.74 0.19 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.528 1.143 . . . . 1.0 110.981 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -102.6 145.47 29.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.803 . . . . 1.0 110.0 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.1 OUTLIER -38.68 121.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 1.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 105.05 -40.08 2.61 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 1.0 111.034 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.1 m -87.78 -143.16 0.12 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.309 -0.997 . . . . 1.0 108.309 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.442 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 28.2 m-70 -66.07 58.41 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.807 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -68.8 -44.6 73.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 1.0 109.255 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 63' ' ' SER . 47.9 t0 -65.27 121.63 15.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 1.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.65 0.84 14.04 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.462 1.102 . . . . 1.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.1 m -97.82 -58.69 1.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 1.0 110.422 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.49 152.23 0.33 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.288 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.34 -41.47 7.42 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 1.0 109.271 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.11 147.22 31.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 1.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 130.22 141.07 4.87 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.518 1.136 . . . . 1.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 3.4 pm0 -72.09 -5.11 33.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 1.0 110.319 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -106.78 8.04 30.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 1.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.421 ' O ' HG12 ' A' ' 67' ' ' VAL . 0.1 OUTLIER -100.12 141.97 32.23 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 1.0 110.001 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 46' ' ' CYS . 54.2 tp -82.39 -28.73 31.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 1.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 32.2 t80 -70.09 -40.79 74.76 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.862 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.644 ' CZ ' ' CD2' ' A' ' 74' ' ' LEU . 8.7 t80 -59.88 -12.35 7.43 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-O 118.921 -0.561 . . . . 1.0 109.821 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -119.88 54.62 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 1.0 109.268 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 1.01 ' O ' HD23 ' A' ' 80' ' ' LEU . 5.2 t -165.36 -47.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 1.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.666 ' CE1' HG12 ' A' ' 68' ' ' VAL . 8.6 m80 -112.89 29.38 8.02 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 114.984 -1.007 . . . . 1.0 109.755 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.446 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -102.8 113.39 26.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 1.0 109.315 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.0 ptp85 -107.0 4.43 27.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 1.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -86.57 -158.03 31.1 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.497 1.123 . . . . 1.0 110.967 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.3 136.22 40.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 0.776 . . . . 1.0 110.31 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.644 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 0.9 OUTLIER -139.99 -168.38 2.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 1.0 109.311 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -83.68 -20.92 32.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 1.0 109.281 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.74 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 48.5 m-70 -130.54 -171.9 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 1.0 109.621 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.3 m -101.67 126.19 48.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 1.0 110.421 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.505 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 1.5 m -89.5 170.41 10.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 1.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.27 -67.79 0.47 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 1.0 108.304 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 1.01 HD23 ' O ' ' A' ' 68' ' ' VAL . 3.3 mm? -46.0 -31.92 2.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 1.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.25 -65.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 85' ' ' LYS . 45.4 t -53.85 -65.86 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 1.0 108.273 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.626 ' O ' HG22 ' A' ' 87' ' ' VAL . 63.6 m170 -34.32 -53.77 0.51 Allowed 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 114.994 -1.003 . . . . 1.0 109.785 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.4 -50.44 62.5 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 1.0 110.007 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.692 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 91.2 mttt -66.02 -31.21 71.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 1.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.1 t -67.58 -63.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 1.0 109.323 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.626 HG22 ' O ' ' A' ' 83' ' ' HIS . 19.3 m -52.98 -20.46 2.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 1.0 109.275 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.692 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -46.06 -30.73 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 1.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -97.26 -34.47 11.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 1.0 110.298 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.52 85.91 48.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 1.0 109.33 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo -71.39 4.54 2.85 Favored 'Trans proline' 0 N--CA 1.447 -1.255 0 C-N-CA 124.341 3.361 . . . . 1.0 109.609 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.57 -10.94 44.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 1.0 110.311 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 51.5 mt -105.48 -3.21 22.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 1.0 109.321 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.408 ' O ' ' OG1' ' A' ' 98' ' ' THR . 0.1 OUTLIER -55.24 -18.71 6.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 1.0 109.288 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.61 28.67 4.94 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.153 . . . . 1.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -151.07 -44.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 1.0 109.275 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.843 ' O ' HG23 ' A' ' 98' ' ' THR . 0.2 OUTLIER -92.82 18.56 8.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.843 HG23 ' O ' ' A' ' 97' ' ' LEU . 0.7 OUTLIER -165.36 -41.4 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 1.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -29.3 128.33 0.1 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.488 1.117 . . . . 1.0 110.995 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 81.1 m -77.91 -45.09 25.06 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.289 -1.004 . . . . 1.0 108.289 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -114.38 139.6 49.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 1.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.83 45.99 5.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 1.0 109.245 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 6.0 p -114.55 166.01 12.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 1.0 109.988 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.448 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 0.6 OUTLIER -57.21 -18.79 17.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 1.0 109.256 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.436 ' O ' ' HD3' ' A' ' 107' ' ' PRO . 1.2 m -96.07 -67.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 1.0 108.323 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 92.6 m-70 -94.2 108.96 39.51 Favored Pre-proline 0 CA--C 1.54 0.581 0 CA-C-N 115.017 -0.992 . . . . 1.0 109.757 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 42.6 Cg_exo . . . . . 0 N--CA 1.447 -1.247 0 C-N-CA 124.326 3.351 . . . . 1.0 109.583 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.711 HBC2 ' HB3' ' A' ' 25' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.644 HMC1 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.715 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.909 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.213 0 CA-C-O 122.041 0.924 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.403 ' HG2' HMB1 ' A' ' 233' ' ' HEM . 56.9 Cg_endo -70.35 171.94 14.16 Favored 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.272 3.315 . . . . 1.0 109.582 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.62 126.6 30.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 1.0 109.303 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 3.8 p -59.12 121.96 59.55 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 1.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.678 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 52.4 Cg_exo -58.98 136.98 77.11 Favored 'Trans proline' 0 N--CA 1.446 -1.276 0 C-N-CA 124.365 3.377 . . . . 1.0 109.593 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -104.14 -61.11 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 1.0 109.308 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.3 mmtt -67.16 119.89 68.06 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 1.0 109.342 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -35.97 136.65 0.21 Allowed 'Trans proline' 0 N--CA 1.447 -1.219 0 C-N-CA 124.335 3.357 . . . . 1.0 109.582 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.0 m -104.35 139.67 24.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 1.0 109.329 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.82 129.84 34.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 1.0 110.348 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 30.7 t -102.28 54.18 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 1.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.2 mttp -42.35 131.43 3.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 1.0 109.31 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -117.14 -140.73 6.75 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.455 1.097 . . . . 1.0 110.964 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 30.1 t -56.61 -29.9 62.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 0.745 . . . . 1.0 110.025 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -172.06 -36.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 1.0 110.308 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.2 164.73 26.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.7 m -134.95 118.55 16.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 1.0 110.442 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 48.2 t -113.2 112.29 39.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 1.0 109.286 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.415 ' O ' ' HG3' ' A' ' 19' ' ' MET . 8.7 ptm -69.55 143.54 53.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.416 1.072 . . . . 1.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.682 ' CE2' ' CHD' ' A' ' 233' ' ' HEM . 61.2 t80 -130.49 117.29 17.62 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 1.0 110.999 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.525 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 41.1 Cg_endo -88.34 133.53 2.8 Favored 'Trans proline' 0 N--CA 1.447 -1.24 0 C-N-CA 124.303 3.335 . . . . 1.0 109.598 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.678 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.8 m80 -86.29 -38.47 17.5 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.107 0.879 . . . . 1.0 109.782 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.007 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -42.62 -70.8 0.17 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.301 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.007 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 76.4 Cg_exo -37.68 -31.28 0.16 Allowed 'Trans proline' 0 N--CA 1.447 -1.264 0 C-N-CA 124.328 3.352 . . . . 1.0 109.602 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.421 ' CD2' ' CBC' ' A' ' 233' ' ' HEM . 71.6 m80 -105.32 50.72 0.77 Allowed 'General case' 0 CA--C 1.54 0.561 0 O-C-N 124.165 0.916 . . . . 1.0 109.726 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.6 tt0 -107.95 43.08 1.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 1.0 110.348 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.54 -46.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 1.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.656 ' CG1' HG21 ' A' ' 32' ' ' THR . 39.9 t -72.21 123.28 26.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 1.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -39.38 155.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 1.0 110.348 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.472 ' O ' ' N ' ' A' ' 34' ' ' HIS . 3.3 m -74.76 -29.42 61.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 1.0 108.303 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.1 p -63.3 -31.82 54.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 1.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.656 HG21 ' CG1' ' A' ' 28' ' ' VAL . 39.4 m -54.05 -50.1 67.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 1.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.479 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 3.9 m -89.12 -51.02 5.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 1.0 108.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' N ' ' O ' ' A' ' 30' ' ' CYS . 98.8 m-70 -87.55 71.99 9.69 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 114.953 -1.021 . . . . 1.0 109.813 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 2.4 p80 -52.81 172.9 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.551 0 O-C-N 124.107 0.879 . . . . 1.0 109.801 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.474 HD13 ' HA2' ' A' ' 39' ' ' GLY . 4.1 pp -118.55 136.46 53.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 1.0 109.28 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 40' ' ' LYS . 1.8 t -113.62 136.35 50.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 1.0 109.339 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 45.86 39.3 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 1.0 109.28 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.474 ' HA2' HD13 ' A' ' 36' ' ' LEU . . . 53.47 30.61 41.95 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.467 1.104 . . . . 1.0 110.968 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -120.4 84.36 2.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 0.761 . . . . 1.0 109.308 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' N ' ' A' ' 42' ' ' SER . 0.4 OUTLIER -37.76 136.17 0.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 1.0 110.257 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.626 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -138.31 165.36 26.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 1.0 109.966 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 42' ' ' SER . 31.3 m-85 -154.89 32.76 0.4 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.995 -1.002 . . . . 1.0 109.82 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.04 173.84 9.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 1.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.52 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.0 OUTLIER -44.14 159.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 1.0 109.297 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.675 ' O ' HD13 ' A' ' 64' ' ' LEU . 69.4 m -93.28 21.8 5.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 108.331 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -166.03 59.35 0.24 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.538 1.149 . . . . 1.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.4 t -99.7 163.75 12.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 0.755 . . . . 1.0 110.0 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.8 p -49.54 122.92 6.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 1.0 109.969 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.29 -35.31 4.88 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.501 1.126 . . . . 1.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.6 m -90.77 -149.8 0.22 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.275 -1.009 . . . . 1.0 108.275 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.688 ' CE1' HG11 ' A' ' 67' ' ' VAL . 14.7 m-70 -65.62 60.52 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.761 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.544 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -75.2 -51.01 14.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 1.0 109.297 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.497 ' CG ' ' HB3' ' A' ' 57' ' ' ALA . 5.3 t70 -46.7 128.1 10.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 1.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 11.2 mt -119.5 10.44 11.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 1.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.1 -59.26 2.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 1.0 110.408 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.497 ' HB3' ' CG ' ' A' ' 54' ' ' ASP . . . -44.93 137.32 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 1.0 109.247 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.23 -34.53 14.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 1.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mttm -111.44 143.02 42.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 1.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 129.41 146.95 6.19 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.52 1.137 . . . . 1.0 111.036 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.86 3.43 19.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.787 . . . . 1.0 110.338 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.413 ' C ' ' HA ' ' A' ' 52' ' ' HIS . 9.0 mtpt -106.76 7.42 30.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 1.0 109.311 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -102.03 141.86 34.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 1.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.675 HD13 ' O ' ' A' ' 46' ' ' CYS . 62.8 tp -82.64 -12.56 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 1.0 109.315 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -85.8 -43.13 13.58 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.027 -0.988 . . . . 1.0 109.837 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.714 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 8.6 t80 -60.76 -12.63 11.24 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-O 118.89 -0.576 . . . . 1.0 109.835 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.5 m -112.1 46.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 1.0 109.285 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 67' ' ' VAL . 16.9 t -160.77 -48.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.107 . . . . 1.0 109.334 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.443 ' CE1' HG12 ' A' ' 68' ' ' VAL . 2.8 m80 -107.89 29.38 7.32 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.965 -1.016 . . . . 1.0 109.77 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.714 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -98.5 97.97 9.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 1.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 47.7 ptt85 -94.88 -9.02 35.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 1.0 110.306 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -77.4 -157.34 8.68 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.524 1.14 . . . . 1.0 111.028 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -87.29 138.75 31.21 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 0.762 . . . . 1.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.547 HD11 ' CB ' ' A' ' 70' ' ' ALA . 5.4 mt -143.09 -171.63 3.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 1.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.06 -18.01 20.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 1.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.452 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 28.3 m80 -135.53 -175.93 4.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.168 . . . . 1.0 109.616 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 3.6 m -93.51 131.93 38.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 1.0 110.394 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.07 170.45 9.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 1.0 110.003 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.42 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.4 m -74.15 -71.5 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 1.0 108.326 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' CB ' ' O ' ' A' ' 68' ' ' VAL . 1.4 tp -47.2 -23.8 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 1.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.42 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -70.06 -67.63 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 1.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 41.4 t -49.14 -57.81 6.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 1.0 108.312 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.655 ' HE1' HBC1 ' A' ' 305' ' ' HEM . 61.7 m170 -39.91 -38.88 0.75 Allowed 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.979 -1.009 . . . . 1.0 109.759 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.561 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -63.46 -58.44 7.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 1.0 110.005 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.743 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.4 OUTLIER -59.27 -30.79 68.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.451 1.094 . . . . 1.0 109.281 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.409 ' C ' ' N ' ' A' ' 88' ' ' ALA . 36.2 t -64.89 -65.64 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 1.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.806 HG11 ' HA ' ' A' ' 94' ' ' LYS . 35.8 m -47.34 -24.61 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 1.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -41.96 -33.1 0.5 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 1.0 109.255 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -92.58 -36.09 13.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 1.0 110.285 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 87' ' ' VAL . 1.8 mtmm -124.25 85.58 55.12 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 1.0 109.337 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.37 3.67 3.43 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.277 3.318 . . . . 1.0 109.577 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.26 -2.77 38.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.569 1.168 . . . . 1.0 110.322 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 97' ' ' LEU . 11.8 mt -116.14 2.23 13.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 1.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.806 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.4 OUTLIER -62.85 -37.11 85.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 1.0 109.274 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.74 -10.64 49.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 1.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.436 ' C ' ' CD2' ' A' ' 97' ' ' LEU . 6.3 m-20 -112.53 -33.33 6.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 1.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.794 HD11 HBD1 ' A' ' 282' ' ' HEM . 0.1 OUTLIER -108.21 49.65 0.8 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 1.0 109.334 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.517 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 164.37 -27.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 1.0 110.427 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.454 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -50.72 131.27 31.51 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 1.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 33.7 m -79.5 -51.14 9.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -107.87 132.83 53.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 1.0 109.281 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 19.3 mttp 67.99 52.03 0.72 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.425 1.078 . . . . 1.0 109.299 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 51.7 p -123.04 164.4 18.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 1.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.441 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 1.6 mmmm -55.43 -31.5 61.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 1.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 77.3 m -80.51 -63.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 1.0 108.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -95.76 109.19 44.86 Favored Pre-proline 0 CA--C 1.54 0.575 0 CA-C-N 115.006 -0.997 . . . . 1.0 109.76 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo . . . . . 0 N--CA 1.448 -1.182 0 C-N-CA 124.3 3.333 . . . . 1.0 109.615 179.852 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.682 ' CHD' ' CE2' ' A' ' 20' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.618 ' C3A' HG12 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.794 HBD1 HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.655 HBC1 ' HE1' ' A' ' 83' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.418 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.2 0 CA-C-O 122.114 0.959 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.421 ' CG ' ' CE2' ' A' ' 43' ' ' TYR . 12.2 Cg_endo -51.52 171.79 0.14 Allowed 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 124.314 3.342 . . . . 1.0 109.567 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.19 124.1 27.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 1.0 109.31 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.517 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 4.3 p -58.87 129.68 85.61 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 1.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.803 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 61.7 Cg_exo -56.05 137.34 78.94 Favored 'Trans proline' 0 N--CA 1.446 -1.275 0 C-N-CA 124.339 3.359 . . . . 1.0 109.58 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -64.74 1.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 1.0 109.296 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.2 mmtt -70.34 126.77 92.44 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.268 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_exo -35.57 139.1 0.13 Allowed 'Trans proline' 0 N--CA 1.447 -1.207 0 C-N-CA 124.304 3.336 . . . . 1.0 109.567 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -113.11 140.83 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 1.0 109.305 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' HB3' HG23 ' A' ' 17' ' ' THR . 2.3 mm-40 -84.18 142.36 30.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 1.0 110.312 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.679 ' O ' HG12 ' A' ' 11' ' ' VAL . 69.6 t -111.45 52.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 1.0 109.281 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.6 mttt -39.71 145.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 1.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.13 -126.63 2.23 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.481 1.113 . . . . 1.0 110.998 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 96.1 p -69.09 -57.18 5.76 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 0.766 . . . . 1.0 109.972 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.9 25.99 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 1.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.13 145.17 49.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.425 1.078 . . . . 1.0 109.36 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 10' ' ' GLU . 17.6 m -122.14 113.84 20.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 1.0 110.393 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 105' ' ' CYS . 16.5 t -117.05 119.65 62.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 1.0 109.354 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.1 mmt -74.65 150.94 39.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 1.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 56.6 t80 -134.48 118.26 13.6 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 1.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.742 ' HG2' ' HG2' ' A' ' 24' ' ' PRO . 37.8 Cg_endo -88.83 130.05 2.15 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 124.28 3.32 . . . . 1.0 109.625 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.803 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 4.5 m80 -84.05 -29.74 26.62 Favored 'General case' 0 CA--C 1.539 0.555 0 O-C-N 124.121 0.888 . . . . 1.0 109.789 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.008 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -48.2 -64.41 1.11 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 1.0 109.36 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.008 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 95.2 Cg_exo -41.51 -53.14 3.36 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 124.307 3.338 . . . . 1.0 109.608 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 34.7 m80 -89.95 52.53 2.31 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 124.128 0.892 . . . . 1.0 109.76 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -88.58 -30.96 18.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 1.0 110.302 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.449 ' NZ ' ' O1D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -81.44 -39.13 25.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 1.0 109.324 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 76.2 t -59.84 124.66 14.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 1.0 109.309 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -55.17 161.61 1.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 1.0 110.307 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.523 ' O ' ' N ' ' A' ' 34' ' ' HIS . 1.4 m -82.64 -29.47 30.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 1.0 108.326 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.3 p -66.23 -23.55 32.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 1.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.5 m -66.84 -44.77 80.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 1.0 110.423 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.5 m -94.64 -56.4 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 1.0 108.284 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 30' ' ' CYS . 99.2 m-70 -79.99 69.8 6.44 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.697 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 76' ' ' HIS . 8.1 p80 -56.04 143.06 33.92 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 124.123 0.889 . . . . 1.0 109.783 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 73.4 mt -64.35 150.19 46.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 1.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.51 ' O ' HG12 ' A' ' 37' ' ' VAL . 1.5 t -108.51 104.99 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 1.0 109.297 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 6.2 t0 54.87 46.45 24.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 1.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 60.31 35.54 88.57 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.557 1.161 . . . . 1.0 110.992 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.06 138.17 36.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 1.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.402 ' HG2' ' N ' ' A' ' 42' ' ' SER . 8.0 tt0 -59.87 140.73 56.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 1.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -156.04 171.6 19.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 1.0 109.996 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 42' ' ' SER . 64.6 m-85 -155.09 -72.65 0.12 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.979 -1.01 . . . . 1.0 109.798 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.486 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 33.8 -148.73 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 1.0 109.292 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.573 ' O ' HMC3 ' A' ' 251' ' ' HEM . 0.1 OUTLIER -107.06 170.06 8.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 52' ' ' HIS . 59.5 m -89.99 22.48 3.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 1.0 108.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -165.9 59.27 0.24 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.14 . . . . 1.0 110.966 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.1 m -104.42 145.68 29.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 0.745 . . . . 1.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 48' ' ' SER . 74.7 p -37.58 125.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.454 1.096 . . . . 1.0 109.988 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 102.31 -39.52 2.74 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.463 1.102 . . . . 1.0 111.018 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' ASP . 2.8 m -91.33 -143.82 0.19 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.299 -1.0 . . . . 1.0 108.299 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.714 ' CE1' HG11 ' A' ' 67' ' ' VAL . 28.8 m-70 -65.19 61.06 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.992 -1.004 . . . . 1.0 109.75 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 51' ' ' CYS . 1.2 p30 -75.43 -41.87 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 109.29 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 57' ' ' ALA . 13.7 t0 -63.89 116.32 5.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 1.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' CD2' ' O ' ' A' ' 53' ' ' ASP . 3.5 mt -105.88 -34.36 7.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 1.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 64.5 m -63.94 -64.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 1.0 110.384 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.488 ' HB3' ' OD1' ' A' ' 54' ' ' ASP . . . -41.91 157.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 1.0 109.279 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.7 -71.0 0.7 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.145 . . . . 1.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.564 ' HD3' ' CE1' ' A' ' 66' ' ' TYR . 0.8 OUTLIER -83.45 169.7 15.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 1.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.33 141.95 6.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 1.0 111.012 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -70.74 -6.92 41.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 0.798 . . . . 1.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -110.55 14.14 22.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 1.0 109.273 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.408 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -103.58 142.14 34.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 1.0 109.975 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 37.5 tp -81.53 -31.97 32.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 1.0 109.335 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -69.13 -44.44 72.36 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.971 -1.013 . . . . 1.0 109.85 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.624 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 16.1 t80 -59.46 -18.42 39.48 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 118.862 -0.59 . . . . 1.0 109.809 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.744 ' O ' HG23 ' A' ' 68' ' ' VAL . 27.7 m -110.41 48.16 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 1.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 67' ' ' VAL . 18.4 t -161.32 -49.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 1.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.613 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.9 m80 -109.2 35.14 3.38 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.986 -1.006 . . . . 1.0 109.727 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.624 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -107.83 103.47 12.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 1.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 -93.48 -8.09 42.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 1.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -76.15 -159.83 9.23 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 1.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -94.42 137.16 33.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 0.749 . . . . 1.0 110.282 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.623 ' CD2' ' CZ ' ' A' ' 66' ' ' TYR . 2.1 mt -140.78 -171.86 3.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 1.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 66.4 mmtt -79.7 -26.45 40.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 1.0 109.334 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.651 ' CD2' ' CD2' ' A' ' 35' ' ' HIS . 63.9 m-70 -128.49 -172.2 2.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 1.0 109.575 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 m -98.18 125.88 43.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 1.0 110.396 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.481 ' OG ' HD12 ' A' ' 74' ' ' LEU . 0.8 OUTLIER -83.75 170.81 13.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 1.0 110.028 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.534 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 2.4 m -74.58 -68.46 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 1.0 108.268 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 68' ' ' VAL . 1.9 mp -46.36 -32.48 3.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 1.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.2 -66.11 0.57 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 1.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.595 ' O ' HG23 ' A' ' 86' ' ' VAL . 50.9 t -53.7 -49.07 68.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 1.0 108.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.48 ' O ' ' N ' ' A' ' 86' ' ' VAL . 44.6 m170 -49.26 -59.8 3.37 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 114.982 -1.008 . . . . 1.0 109.781 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 13.9 t -46.27 -38.12 8.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 1.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.729 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 0.3 OUTLIER -73.99 -32.68 63.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 1.0 109.278 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 82' ' ' CYS . 78.6 t -64.77 -59.81 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.536 1.147 . . . . 1.0 109.302 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.832 HG11 ' HA ' ' A' ' 94' ' ' LYS . 20.9 m -53.87 -21.94 6.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 1.0 109.262 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.729 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -43.98 -33.97 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 1.0 109.264 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -97.74 -42.56 7.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 1.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' O ' ' HA ' ' A' ' 87' ' ' VAL . 10.4 mmmt -112.98 93.39 24.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -77.83 8.47 3.42 Favored 'Trans proline' 0 N--CA 1.447 -1.226 0 C-N-CA 124.306 3.337 . . . . 1.0 109.572 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.99 -3.64 29.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 1.0 110.279 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 58.9 mt -116.06 4.05 13.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 1.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.832 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -61.93 -27.61 68.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 1.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.445 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -90.79 16.34 9.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 1.0 109.35 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -132.42 -44.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.501 1.125 . . . . 1.0 109.244 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.612 ' CD2' ' CHA' ' A' ' 282' ' ' HEM . 36.1 mt -78.55 -40.71 34.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 1.0 109.292 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.479 ' OG1' ' CD ' ' A' ' 94' ' ' LYS . 30.9 p -118.05 -17.76 9.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 1.0 110.397 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.472 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -35.74 128.52 0.83 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.517 1.136 . . . . 1.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.419 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 57.3 m -84.73 -51.37 6.85 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.314 -0.995 . . . . 1.0 108.314 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.58 134.11 50.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 1.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.4 49.14 4.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 1.0 109.27 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.472 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 3.9 p -114.33 165.83 12.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.494 1.121 . . . . 1.0 109.999 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 8.9 mmmt -57.84 -19.85 31.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 1.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 18' ' ' VAL . 0.5 OUTLIER -94.95 -72.98 0.6 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 1.0 108.327 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 97.5 m-70 -85.38 110.4 28.87 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-N 114.996 -1.002 . . . . 1.0 109.77 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 105' ' ' CYS . 19.2 Cg_exo . . . . . 0 N--CA 1.447 -1.236 0 C-N-CA 124.304 3.336 . . . . 1.0 109.619 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.557 ' C3A' ' HG3' ' A' ' 5' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.573 HMC3 ' O ' ' A' ' 45' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.677 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.788 ' CMC' HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.182 0 CA-C-O 122.087 0.946 . . . . 1.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -49.56 171.6 0.08 OUTLIER 'Trans proline' 0 N--CA 1.447 -1.213 0 C-N-CA 124.293 3.329 . . . . 1.0 109.622 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.33 126.79 32.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 1.0 109.299 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 2.8 p -54.47 129.23 61.61 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.127 . . . . 1.0 109.349 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.639 ' HG3' ' C3A' ' A' ' 233' ' ' HEM . 50.6 Cg_exo -57.15 149.74 61.52 Favored 'Trans proline' 0 N--CA 1.447 -1.252 0 C-N-CA 124.338 3.359 . . . . 1.0 109.601 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.54 -73.3 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 1.0 109.29 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.38 125.43 59.1 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.332 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -35.28 118.67 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.194 0 C-N-CA 124.334 3.356 . . . . 1.0 109.562 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.776 HG11 ' CGA' ' A' ' 233' ' ' HEM . 29.8 m -92.01 156.06 3.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 1.0 109.309 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -102.54 144.37 31.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 1.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.823 HG22 ' O1D' ' A' ' 233' ' ' HEM . 76.7 t -112.03 60.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.546 1.154 . . . . 1.0 109.327 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mmtp -43.46 144.23 0.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 1.0 109.308 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.02 -128.18 2.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.475 1.109 . . . . 1.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.9 p -71.89 -55.94 6.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 1.0 110.008 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.32 26.75 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 1.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 mptt -135.4 157.13 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 1.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.7 m -129.13 125.62 37.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 1.0 110.423 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -126.57 121.22 58.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 1.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.404 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 1.2 mmt -75.45 151.28 38.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 1.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 26.5 t80 -138.75 115.26 8.8 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 1.0 111.021 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.579 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . 40.6 Cg_endo -83.48 131.79 5.68 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 C-N-CA 124.315 3.343 . . . . 1.0 109.627 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.633 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.9 m80 -87.83 -38.11 15.97 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 124.077 0.861 . . . . 1.0 109.747 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 1.022 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -44.53 -65.56 0.6 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 1.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 1.022 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 82.7 Cg_exo -38.46 -50.62 2.3 Favored 'Trans proline' 0 N--CA 1.446 -1.271 0 C-N-CA 124.316 3.344 . . . . 1.0 109.602 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.501 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 53.9 m80 -89.02 50.94 2.04 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 124.178 0.924 . . . . 1.0 109.795 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -89.21 -28.43 19.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 1.0 110.297 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.99 -39.99 28.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 1.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' GLU . 77.1 t -52.71 129.14 12.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 1.0 109.309 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.412 ' O ' ' O ' ' A' ' 28' ' ' VAL . 7.4 mt-10 -45.88 172.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 1.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 t -100.92 -0.57 36.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.135 . . . . 1.0 108.209 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -113.91 0.43 8.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.466 1.104 . . . . 1.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 23.3 m -78.72 -43.66 25.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.57 1.169 . . . . 1.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.24 -61.19 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 1.0 108.362 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.57 74.26 1.47 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.973 -1.012 . . . . 1.0 109.795 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -67.1 134.79 52.51 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 124.19 0.931 . . . . 1.0 109.773 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.6 mt -47.4 146.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.12 . . . . 1.0 109.292 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 37' ' ' VAL . 2.2 t -98.73 87.05 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 1.0 109.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t0 63.28 43.5 6.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 1.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.7 31.64 70.52 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.543 1.152 . . . . 1.0 111.012 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -138.21 120.69 16.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 0.772 . . . . 1.0 109.333 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -49.68 134.97 19.59 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 1.0 110.273 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.628 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -152.25 164.99 36.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 1.0 110.007 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CD1' ' O ' ' A' ' 42' ' ' SER . 70.4 m-85 -158.19 35.04 0.24 Allowed 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.002 -0.999 . . . . 1.0 109.878 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.04 175.77 9.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 1.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.3 161.73 6.87 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.541 1.151 . . . . 1.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.629 ' O ' HD13 ' A' ' 64' ' ' LEU . 42.4 m -87.76 29.62 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.435 1.084 . . . . 1.0 108.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -167.44 55.9 0.23 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.505 1.128 . . . . 1.0 111.009 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 49' ' ' SER . 2.6 m -101.84 145.57 29.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 1.0 110.014 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' SER . 59.9 p -37.94 124.86 1.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 1.0 110.03 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 101.26 -37.54 3.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.113 . . . . 1.0 111.016 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.5 m -90.76 -145.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.293 -1.002 . . . . 1.0 108.293 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.872 ' CE1' HG11 ' A' ' 67' ' ' VAL . 34.4 m-70 -65.35 59.56 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.723 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.7 OUTLIER -70.52 -41.45 72.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 1.0 109.3 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' A' ' 57' ' ' ALA . 14.1 t0 -68.66 119.77 13.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 1.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -115.92 1.04 13.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 1.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 87.6 m -100.42 -61.72 1.33 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 1.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.478 ' N ' ' OD1' ' A' ' 54' ' ' ASP . . . -43.05 156.25 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 1.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.85 -83.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 1.0 109.308 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.84 168.28 20.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 1.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 119.42 137.59 5.55 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.481 1.113 . . . . 1.0 110.967 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.44 -5.61 34.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 0.784 . . . . 1.0 110.331 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -105.62 6.92 32.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 1.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -97.25 140.48 31.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 1.0 109.947 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.629 HD13 ' O ' ' A' ' 46' ' ' CYS . 55.2 tp -83.99 -22.44 31.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 1.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -77.2 -41.62 40.74 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.976 -1.011 . . . . 1.0 109.846 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.612 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 23.4 t80 -67.8 -4.28 12.08 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 118.932 -0.556 . . . . 1.0 109.858 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.872 HG11 ' CE1' ' A' ' 52' ' ' HIS . 6.0 m -116.07 29.06 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 1.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.655 ' O ' HD13 ' A' ' 80' ' ' LEU . 5.6 t -143.84 -50.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 1.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.479 ' HA ' HD22 ' A' ' 80' ' ' LEU . 3.5 m80 -104.05 28.71 6.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.032 -0.985 . . . . 1.0 109.786 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.612 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -101.55 90.93 4.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 1.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -88.16 -17.15 31.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 1.0 110.314 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -65.2 -156.87 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.508 1.13 . . . . 1.0 111.026 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -88.44 135.41 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 1.0 110.296 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.871 HD22 ' O1A' ' A' ' 251' ' ' HEM . 3.9 mt -143.31 -170.22 3.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 1.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -91.35 -23.33 20.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 1.0 109.359 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -127.53 -169.51 2.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 1.0 109.63 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.2 m -103.71 121.41 42.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 1.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.486 ' OG ' ' CD1' ' A' ' 74' ' ' LEU . 49.4 m -85.03 168.53 14.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 1.0 110.013 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.429 ' C ' ' N ' ' A' ' 81' ' ' ALA . 2.2 m -67.59 -67.53 0.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 1.0 108.271 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 68' ' ' VAL . 6.2 mp -44.98 -25.94 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 1.0 109.328 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 78' ' ' SER . . . -69.92 -50.98 36.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 1.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.584 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 37.3 t -93.61 31.82 1.5 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.096 . . . . 1.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.428 ' O ' HG13 ' A' ' 87' ' ' VAL . 2.4 m170 -131.67 -51.47 0.99 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 114.991 -1.004 . . . . 1.0 109.735 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.4 ' HA ' HG21 ' A' ' 98' ' ' THR . 22.3 p -67.84 -25.29 65.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 110.024 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.59 ' O ' ' HB3' ' A' ' 88' ' ' ALA . 1.2 mptp? -90.76 -33.33 15.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 1.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 7.0 t -61.71 -44.14 98.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 1.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 94' ' ' LYS . 27.4 m -60.26 -22.47 25.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 1.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' A' ' 85' ' ' LYS . . . -44.34 -34.38 1.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 1.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -86.78 -41.85 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 1.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.2 mttt -122.48 86.14 48.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.556 1.16 . . . . 1.0 109.285 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 14.2 Cg_exo -69.91 1.94 4.07 Favored 'Trans proline' 0 N--CA 1.447 -1.257 0 C-N-CA 124.341 3.361 . . . . 1.0 109.62 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -92.14 -3.75 55.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 1.0 110.269 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 24.8 mt -112.58 0.63 15.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 1.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.494 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -55.38 -25.74 37.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 1.0 109.311 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.444 ' CE ' ' O ' ' A' ' 101' ' ' ALA . 10.4 tptm -99.71 38.57 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 1.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -154.38 -50.93 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 1.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.531 HD11 ' C4D' ' A' ' 282' ' ' HEM . 0.2 OUTLIER -78.2 -37.6 45.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 1.0 109.237 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.58 ' O ' ' C ' ' A' ' 99' ' ' GLY . 6.7 p -111.29 -49.47 3.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.132 . . . . 1.0 110.397 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.58 ' C ' ' O ' ' A' ' 98' ' ' THR . . . -19.72 128.08 0.01 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.533 1.145 . . . . 1.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . 0.417 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 9.5 m -83.1 -53.49 5.76 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.318 -0.993 . . . . 1.0 108.318 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.444 ' O ' ' CE ' ' A' ' 95' ' ' LYS . . . -95.41 137.91 33.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 1.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.75 57.64 4.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 1.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 2.7 p -124.71 165.4 18.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 1.0 110.03 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.484 ' HE3' ' CGA' ' A' ' 282' ' ' HEM . 13.1 mmmt -58.92 -28.92 66.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 1.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.77 -77.79 0.23 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 1.0 108.326 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 100' ' ' CYS . 94.7 m-70 -82.03 141.69 47.27 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 114.942 -1.026 . . . . 1.0 109.739 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo . . . . . 0 N--CA 1.447 -1.257 0 C-N-CA 124.308 3.339 . . . . 1.0 109.581 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.823 ' O1D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.871 ' O1A' HD22 ' A' ' 74' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.63 HBC2 ' CMC' ' A' ' 282' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.84 HMC2 HBC2 ' A' ' 305' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.441 ' CB ' ' HD2' ' A' ' 2' ' ' PRO . . . . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 122.072 0.939 . . . . 1.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' A' ' 1' ' ' ALA . 9.7 Cg_endo -48.77 168.22 0.11 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 124.293 3.329 . . . . 1.0 109.566 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.76 132.99 43.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 1.0 109.297 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 5' ' ' PRO . 1.4 p -62.36 125.99 86.97 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 1.0 109.317 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PRO . . . . . 0.524 ' HG2' ' CE1' ' A' ' 22' ' ' HIS . 72.8 Cg_exo -53.23 138.68 63.95 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 124.302 3.334 . . . . 1.0 109.613 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -104.8 -64.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 1.0 109.33 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -67.72 131.46 92.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 1.0 109.285 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -37.3 140.71 0.2 Allowed 'Trans proline' 0 N--CA 1.448 -1.188 0 C-N-CA 124.248 3.298 . . . . 1.0 109.566 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.2 m -111.46 141.44 26.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 1.0 109.305 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.587 ' HB3' HG23 ' A' ' 17' ' ' THR . 3.0 mm-40 -90.42 135.2 33.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 1.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.635 HG22 ' O1D' ' A' ' 233' ' ' HEM . 94.8 t -102.89 63.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.13 . . . . 1.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 11.9 mttm -40.68 143.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 1.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.81 -123.4 2.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 1.0 110.973 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.4 p -85.85 -54.9 4.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 0.767 . . . . 1.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.78 36.32 0.5 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 1.0 110.292 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 tttm -155.52 160.78 40.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 1.0 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.587 HG23 ' HB3' ' A' ' 10' ' ' GLU . 1.0 OUTLIER -131.04 121.87 25.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 1.0 110.411 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -112.69 115.05 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 1.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 3.7 mmm -64.67 148.98 49.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 1.0 110.981 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CZ ' ' CHD' ' A' ' 233' ' ' HEM . 27.1 t80 -138.43 109.46 8.09 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 1.0 110.976 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.619 ' CG ' ' HG2' ' A' ' 24' ' ' PRO . 67.4 Cg_endo -81.34 124.54 4.81 Favored 'Trans proline' 0 N--CA 1.447 -1.23 0 C-N-CA 124.309 3.34 . . . . 1.0 109.576 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CE1' ' HG2' ' A' ' 5' ' ' PRO . 1.6 m80 -79.27 -37.97 36.61 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 124.129 0.893 . . . . 1.0 109.744 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.967 ' HB3' ' HD3' ' A' ' 24' ' ' PRO . . . -43.2 -69.66 0.21 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 1.0 109.355 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.967 ' HD3' ' HB3' ' A' ' 23' ' ' ALA . 87.4 Cg_exo -33.99 -39.37 0.15 Allowed 'Trans proline' 0 N--CA 1.448 -1.203 0 C-N-CA 124.251 3.301 . . . . 1.0 109.625 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.487 ' HB3' HBC2 ' A' ' 233' ' ' HEM . 53.7 m80 -100.31 54.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.55 0 O-C-N 124.131 0.894 . . . . 1.0 109.758 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 23' ' ' ALA . 1.4 mm-40 -91.71 -33.36 15.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 1.0 110.277 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -79.0 -31.47 44.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 1.0 109.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 29' ' ' GLU . 63.8 t -59.89 128.27 20.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 1.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.42 ' O ' ' O ' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -46.45 174.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 1.0 110.306 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.75 -2.94 29.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 1.0 108.313 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.01 -2.6 10.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 1.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 18.0 m -77.27 -39.31 48.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 1.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.438 ' HB2' ' C2C' ' A' ' 233' ' ' HEM . 16.7 m -99.07 -60.09 1.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 1.0 108.292 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -76.57 76.26 3.27 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.999 -1.0 . . . . 1.0 109.722 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' HB2' ' CE1' ' A' ' 76' ' ' HIS . 9.7 p80 -61.96 148.2 44.51 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 124.19 0.931 . . . . 1.0 109.808 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.0 mt -66.09 150.98 47.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 1.0 109.33 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 22.9 t -108.24 103.86 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 1.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.9 t70 55.05 45.89 25.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 1.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 64.04 32.06 82.91 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.458 1.099 . . . . 1.0 110.961 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 133.11 36.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.762 . . . . 1.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -60.21 134.27 56.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.565 1.165 . . . . 1.0 110.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.625 ' O ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -144.12 163.04 34.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 1.0 109.98 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.625 ' CD1' ' O ' ' A' ' 42' ' ' SER . 55.1 m-85 -159.2 37.68 0.21 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.024 -0.989 . . . . 1.0 109.809 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.4 178.79 6.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.559 1.162 . . . . 1.0 109.309 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' O ' HMC1 ' A' ' 251' ' ' HEM . 28.1 mttt -62.61 144.18 56.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 1.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.506 ' HA ' ' CHC' ' A' ' 251' ' ' HEM . 57.6 m -64.0 -34.86 78.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 1.0 108.29 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 52' ' ' HIS . . . -106.39 54.76 0.57 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.548 1.155 . . . . 1.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 49' ' ' SER . 12.2 m -93.21 144.29 25.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 0.727 . . . . 1.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 48' ' ' SER . 0.3 OUTLIER -38.18 123.85 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 1.0 109.971 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.92 -37.67 3.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.516 1.135 . . . . 1.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 53' ' ' ASP . 3.4 m -85.48 -144.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.307 -0.998 . . . . 1.0 108.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.435 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 31.9 m-70 -65.39 58.13 0.03 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.02 -0.991 . . . . 1.0 109.781 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -69.26 -46.52 67.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 1.0 109.312 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 63' ' ' SER . 39.4 t0 -66.56 119.7 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 1.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -112.73 1.16 15.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.455 1.097 . . . . 1.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 75.6 m -99.32 -60.97 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 1.0 110.369 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.542 ' HB3' ' OG ' ' A' ' 63' ' ' SER . . . -42.29 150.49 0.13 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 1.0 109.325 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -63.35 1.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 1.0 109.29 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.25 167.3 12.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.115 . . . . 1.0 109.277 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 118.08 140.33 6.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.543 1.152 . . . . 1.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' HB2' ' CAD' ' A' ' 251' ' ' HEM . 0.4 OUTLIER -71.32 -7.59 48.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 0.756 . . . . 1.0 110.324 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.44 15.43 23.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.525 1.141 . . . . 1.0 109.322 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 57' ' ' ALA . 0.4 OUTLIER -107.25 133.89 51.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 1.0 110.037 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 tp -77.59 -21.18 52.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 1.0 109.332 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -78.03 -40.7 37.99 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 114.958 -1.019 . . . . 1.0 109.832 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.411 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 12.4 t80 -61.15 -11.19 8.05 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 118.962 -0.542 . . . . 1.0 109.876 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.816 ' O ' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -124.47 57.39 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 1.0 109.308 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 67' ' ' VAL . 5.2 t -163.39 -48.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 1.0 109.284 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.683 ' CE1' HG12 ' A' ' 68' ' ' VAL . 3.6 m80 -111.97 25.22 11.81 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 114.969 -1.014 . . . . 1.0 109.773 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' HB2' ' O ' ' A' ' 66' ' ' TYR . . . -93.02 118.63 31.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 1.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -110.29 6.95 22.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 1.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -92.53 -155.43 31.92 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.56 1.162 . . . . 1.0 110.999 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -99.17 139.57 34.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 0.741 . . . . 1.0 110.279 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.9 -169.53 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 1.0 109.237 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.501 ' CG ' ' O2A' ' A' ' 251' ' ' HEM . 21.7 mmtt -80.36 -18.9 47.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 1.0 109.295 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.51 ' CE1' ' HB2' ' A' ' 35' ' ' HIS . 26.9 m80 -143.29 -171.93 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 1.0 109.636 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 m -96.49 129.99 43.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 1.0 110.413 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 81' ' ' ALA . 3.4 m -87.85 170.98 10.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 1.0 110.018 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.493 ' HB3' ' C4B' ' A' ' 282' ' ' HEM . 3.1 m -69.88 -67.34 0.49 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.423 1.077 . . . . 1.0 108.292 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 69' ' ' HIS . 0.8 OUTLIER -46.98 -23.01 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 1.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 79' ' ' CYS . . . -71.38 -50.53 31.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 1.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' CYS . . . . . 0.629 ' HB3' ' C2C' ' A' ' 282' ' ' HEM . 42.5 t -92.59 36.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 1.0 108.292 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.602 ' CE1' HD13 ' A' ' 97' ' ' LEU . 2.1 m170 -133.7 -64.16 0.72 Allowed 'General case' 0 CA--C 1.54 0.577 0 CA-C-N 115.001 -1.0 . . . . 1.0 109.752 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.7 t -55.44 -19.63 9.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 1.0 109.994 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.591 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 0.1 OUTLIER -96.29 -38.86 9.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 1.0 109.267 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 82' ' ' CYS . 19.9 t -51.57 -38.1 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 1.0 109.264 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.925 HG11 ' HA ' ' A' ' 94' ' ' LYS . 15.5 m -63.93 -22.32 30.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 1.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 85' ' ' LYS . . . -41.02 -39.42 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 1.0 109.299 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -94.25 -25.47 17.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 1.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.805 ' HD3' HD12 ' A' ' 93' ' ' LEU . 13.5 ptpt -126.79 85.99 59.62 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 1.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -77.23 8.79 3.08 Favored 'Trans proline' 0 N--CA 1.447 -1.233 0 C-N-CA 124.244 3.296 . . . . 1.0 109.609 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.32 0.24 31.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 1.0 110.294 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.805 HD12 ' HD3' ' A' ' 90' ' ' LYS . 88.6 mt -122.74 7.1 9.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 1.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.925 ' HA ' HG11 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -58.03 -31.93 67.47 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 1.0 109.279 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.491 ' O ' ' CD ' ' A' ' 95' ' ' LYS . 0.0 OUTLIER -91.88 19.06 6.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 1.0 109.321 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.457 ' C ' HD23 ' A' ' 97' ' ' LEU . 3.7 m-20 -130.57 -43.4 1.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 1.0 109.297 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.877 HD11 ' CHA' ' A' ' 282' ' ' HEM . 0.1 OUTLIER -106.57 51.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 1.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.54 ' CB ' ' O ' ' A' ' 97' ' ' LEU . 0.9 OUTLIER 163.26 -27.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 1.0 110.366 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 103' ' ' SER . . . -52.08 132.54 37.42 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.484 1.115 . . . . 1.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' CYS . . . . . . . . . . . . . 14.8 m -78.53 -52.32 8.67 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.304 -0.999 . . . . 1.0 108.304 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -106.04 131.77 52.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 1.0 109.323 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 mtpm? 66.54 57.76 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 1.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.451 ' CB ' ' O ' ' A' ' 99' ' ' GLY . 35.5 p -127.05 164.34 21.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 1.0 109.974 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.443 ' HE2' ' CGA' ' A' ' 282' ' ' HEM . 1.6 mmmm -56.03 -27.68 54.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 1.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 34.9 m -85.71 -68.23 0.75 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 1.0 108.292 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -88.28 112.45 49.75 Favored Pre-proline 0 CA--C 1.54 0.57 0 CA-C-N 115.015 -0.993 . . . . 1.0 109.752 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo . . . . . 0 N--CA 1.448 -1.204 0 C-N-CA 124.303 3.335 . . . . 1.0 109.59 179.859 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' HEM . . . . . 0.635 ' O1D' HG22 ' A' ' 11' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 251' ' ' HEM . . . . . 0.663 ' CHB' HG21 ' A' ' 67' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 282' ' ' HEM . . . . . 0.877 ' CHA' HD11 ' A' ' 97' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 305' ' ' HEM . . . . . 0.403 HMC3 ' HA ' ' A' ' 98' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_