data_1wjl_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 1wjl _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 ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.55 104.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 p -88.78 124.57 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.84 177.47 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -138.84 161.33 37.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.13 138.65 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -111.79 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.518 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 46.0 mt -96.97 89.34 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 m -56.78 146.86 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -109.86 156.2 15.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -74.97 154.2 99.57 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.026 -0.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -76.75 -91.72 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.41 52.85 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.959 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.522 ' CE2' HD22 ' A' ' 83' ' ' LEU . 2.1 m95 -89.19 97.41 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' THR . . . -87.01 52.72 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.158 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.2 p90 -144.81 135.49 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -103.26 164.48 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 34' ' ' LEU . 76.7 mt -105.64 155.06 19.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -118.69 164.6 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.87 -140.94 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.06 -174.31 23.28 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -75.88 -41.24 52.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 11.2 p-10 -68.38 -10.3 54.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.9 -2.66 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.35 32.8 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.1 mtp -134.15 157.26 78.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 128.9 11.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.46 102.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' HD13 ' A' ' 55' ' ' LEU . 9.1 p -113.52 162.4 16.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 11.6 mm -73.34 95.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 42.8 t -49.22 -71.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 170.19 16.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -144.58 143.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.0 m -82.91 133.5 48.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.95 -5.42 42.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -81.33 168.78 18.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.51 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.8 16.66 18.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.32 16.87 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -125.03 -120.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -125.39 0.81 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 12.4 mt -73.32 126.77 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.0 m -139.2 150.39 45.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' SER . 3.6 tt0 -63.39 123.12 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.68 -25.85 16.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 83.1 m-20 -39.92 156.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.44 105.04 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -77.16 132.32 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.37 -52.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.69 146.79 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.587 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 90.6 mt -117.04 110.59 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 67.47 19.28 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.84 23.02 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.1 t -129.23 111.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -46.19 158.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 33.4 p -114.33 -28.62 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -47.41 -25.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' THR . 8.3 t -97.51 -28.25 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.0 mtm -88.2 135.95 33.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -73.25 174.23 8.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -53.47 -47.53 69.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.59 -61.63 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -38.72 -58.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.79 55.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -46.83 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.64 -30.36 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -39.13 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 20' ' ' TRP . 52.9 mt -54.64 -45.18 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -46.15 71.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -47.03 -49.62 20.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.74 153.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.4 -89.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -53.64 13.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.44 155.59 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.522 HD22 ' CE2' ' A' ' 20' ' ' TRP . 20.4 tp -119.95 91.67 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -84.3 144.36 28.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 15.9 mt -147.98 118.12 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 m -90.13 117.82 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -108.82 172.36 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.9 142.7 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.99 110.3 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -174.24 109.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.9 p -89.55 122.78 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.7 p90 -128.88 177.31 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -140.71 157.74 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 3.6 t -121.6 135.85 60.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 m -117.59 99.72 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.09 117.66 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.9 m -73.23 132.9 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.499 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.6 157.56 19.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.499 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 146.87 87.85 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.013 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -72.0 -82.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 174.22 53.85 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.515 ' CD2' HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -92.51 97.9 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.58 47.37 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.2 p90 -134.29 136.08 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -103.14 169.96 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 34' ' ' LEU . 48.3 mt -112.06 160.53 17.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.18 164.29 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.39 -139.3 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.47 172.54 13.18 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -33.22 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -48.22 73.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.07 -3.74 52.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.53 16.17 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -114.12 164.3 16.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 127.9 10.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.31 102.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' GLN . 1.4 p -115.91 158.16 23.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 39' ' ' ILE . 16.9 mm -65.83 96.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -71.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.18 161.41 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 36' ' ' ILE . 88.4 mt -137.88 141.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 18.8 m -90.68 144.75 30.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.95 139.55 24.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 -44.17 2.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -48.51 173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.56 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.16 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.12 16.25 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -138.25 11.26 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.0 p -120.67 -134.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.96 -5.26 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.453 ' HG ' ' CG2' ' A' ' 12' ' ' VAL . 4.5 mt -68.77 121.92 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.9 m -131.76 146.5 52.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -60.03 124.49 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 107.99 -27.22 15.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 80.3 m-20 -39.2 157.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -112.67 113.2 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -81.9 131.15 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.19 -48.14 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.68 153.56 50.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' A' ' 85' ' ' LEU . 77.2 mt -119.88 110.47 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 6.6 t0 68.07 12.29 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.16 18.68 10.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.4 112.06 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -42.35 157.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' VAL . 24.8 p -114.57 -27.13 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.52 -27.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -91.38 -33.8 15.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.3 mtm -81.75 151.29 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.4 p -88.05 -166.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.03 -58.04 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 73' ' ' GLN . 9.4 tp -57.81 -62.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LEU . 4.4 mm-40 -36.66 -57.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.81 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-30 -58.12 -51.23 70.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -28.32 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 0.6 OUTLIER -64.08 -38.28 90.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.441 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 84.5 mt -56.05 -50.74 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -44.19 96.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -44.12 -53.82 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.22 145.29 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m -130.99 -55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.7 -56.66 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.97 155.87 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.515 HD21 ' CD2' ' A' ' 20' ' ' TRP . 32.6 tp -123.67 91.5 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -83.88 145.23 28.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.477 ' CD2' HG22 ' A' ' 59' ' ' ILE . 11.9 mt -146.6 118.49 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 m -90.49 114.32 26.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -107.72 169.79 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -134.59 137.15 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -67.08 110.59 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.965 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -171.17 111.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -89.29 125.37 35.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.2 p90 -135.57 177.7 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 p -137.47 162.48 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.0 134.28 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -106.55 101.13 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 50' ' ' LEU . 66.6 mt -107.4 103.93 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 145.69 54.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -112.72 158.02 14.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 145.58 84.31 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 -0.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.493 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.03 -86.89 0.12 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.493 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.59 51.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.958 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.555 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -91.38 97.69 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.88 53.33 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.4 p90 -142.21 134.12 27.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.71 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 34' ' ' LEU . 66.4 mt -112.75 158.16 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.02 169.61 11.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.06 -143.98 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 167.98 12.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.32 -30.83 12.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -45.73 63.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -85.06 7.5 21.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 54.46 20.64 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -118.53 163.32 26.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.98 127.31 10.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.45 102.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 p -113.43 159.3 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.0 mm -68.01 89.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.1 t -41.12 -65.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.08 168.99 22.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -141.31 146.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -82.58 141.94 45.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.19 6.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.7 -7.29 63.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -77.23 163.6 26.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.08 -33.58 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . -65.35 -21.02 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.59 -13.95 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.95 24.82 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 36.9 p -116.6 -87.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.29 -37.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.1 pp -66.85 121.65 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 174.18 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.63 139.94 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.32 -30.93 7.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' GLY . 69.7 m-20 -39.65 157.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -110.82 114.26 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.6 t -83.87 130.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -49.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.43 149.44 46.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.546 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -117.31 110.72 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 67.76 17.84 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.73 21.35 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.459 ' CB ' ' HE2' ' A' ' 75' ' ' LYS . 94.0 t -126.42 110.83 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -41.5 160.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' VAL . 60.0 p -120.85 -37.07 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -43.94 -32.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 t -81.75 -37.53 27.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' THR . 43.7 mtm -82.53 153.7 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -85.9 -171.36 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.78 -58.06 8.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLU . 6.7 tp -55.07 -66.36 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 12.2 mm-40 -35.8 -56.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.18 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -40.9 73.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -35.63 76.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' A' ' 62' ' ' VAL . 8.7 tptt -58.19 -35.24 71.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.75 -48.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -46.87 78.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.24 -52.05 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.92 154.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -135.32 -91.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -56.0 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -135.63 158.94 43.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.555 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 15.7 tp -127.9 89.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -81.6 148.7 28.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 16.4 mt -148.7 122.44 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 m -92.76 117.63 30.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -108.72 171.16 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.54 132.64 35.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 104.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.15 117.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -91.04 122.29 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -137.41 177.63 7.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -141.8 158.93 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 11.2 t -121.84 138.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.2 m -115.41 95.62 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 44' ' ' LYS . 83.2 mt -100.91 103.12 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 2.4 m -64.84 142.47 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.508 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -106.48 154.79 16.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.508 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.04 147.47 89.3 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.61 -89.14 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.28 53.53 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.029 -0.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.511 ' CD2' HD21 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -91.35 97.86 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.27 56.75 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 76' ' ' ILE . 2.5 p90 -146.03 133.98 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -97.39 170.34 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.0 mt -112.81 154.93 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -123.54 172.76 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 35.17 -142.74 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.53 166.82 11.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -59.77 -26.61 65.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -43.65 97.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.24 3.81 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t30 69.64 15.31 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.2 mtp -104.54 157.26 34.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.08 12.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 103.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 55' ' ' LEU . 4.6 p -118.06 163.81 16.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 39' ' ' ILE . 10.2 mm -73.03 104.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -54.58 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.85 148.67 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 36' ' ' ILE . 79.5 mt -122.93 139.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -83.12 136.19 43.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.86 -2.95 17.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -88.81 167.49 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -63.99 -41.38 97.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.24 61.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.87 13.1 21.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.75 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 p -135.53 -106.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -142.15 13.94 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 12' ' ' VAL . 1.8 mt -91.48 123.05 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -130.61 146.68 52.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.48 122.44 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 108.69 -22.14 26.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' GLY . 69.3 m-20 -39.77 155.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.86 103.55 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.07 128.86 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -105.61 -53.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.35 143.15 43.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.533 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 97.8 mt -109.21 110.62 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 70.94 9.92 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 14.6 17.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.412 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 3.9 t -120.03 110.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.474 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.0 t-20 -42.83 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' VAL . 56.9 p -115.29 -0.93 13.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 13.8 t0 -74.9 -3.22 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 -1.89 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 5.5 ptp -117.51 142.46 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -77.14 -166.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.95 -57.4 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLN . 13.3 tp -59.04 -56.85 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.42 -54.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.429 ' CB ' ' SD ' ' A' ' 67' ' ' MET . . . -56.85 -47.34 80.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -54.49 -35.14 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -24.41 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HE2' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -69.17 -35.78 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 22' ' ' PHE . 80.1 mt -57.42 -51.79 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.76 -41.36 98.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -42.68 -53.9 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 161.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -138.83 -80.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -56.92 9.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.441 ' ND2' ' OG1' ' A' ' 15' ' ' THR . 3.5 m120 -138.96 169.76 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 20' ' ' TRP . 31.0 tp -124.39 88.74 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.55 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.533 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 11.9 mt -142.8 119.8 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.6 m -90.75 115.19 27.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -107.66 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.62 132.41 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 6.4 mmtt -73.55 111.81 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtp -175.5 102.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -90.35 128.19 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.62 177.4 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 p -133.26 164.21 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 50' ' ' LEU . 3.1 t -130.03 145.71 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -112.39 95.75 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 21.4 mt -88.97 81.44 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -51.09 131.45 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.05 -177.32 33.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.96 -175.52 16.17 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.998 -0.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 17' ' ' PRO . . . -54.16 -166.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.002 0.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 54.2 m95 -112.18 98.9 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.41 54.33 2.38 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 20' ' ' TRP . 1.6 p90 -158.07 131.58 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -108.31 168.48 9.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.402 ' CD2' HD21 ' A' ' 34' ' ' LEU . 45.9 mt -111.37 159.83 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -126.67 167.75 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.88 -133.09 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.71 169.9 13.08 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.19 -39.46 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.45 -42.08 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -82.85 4.9 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 55.93 33.05 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.8 mmm -136.04 163.46 50.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.24 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.22 102.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -115.05 158.03 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 16.5 mm -64.08 98.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.2 t -51.42 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 166.35 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 36' ' ' ILE . 95.6 mt -143.07 139.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.0 m -83.84 140.67 40.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 114.71 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.86 -23.08 10.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -67.76 168.98 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -23.14 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.63 -15.23 59.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.09 10.94 25.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.76 14.26 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.2 -124.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -120.21 -7.11 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 12' ' ' VAL . 6.5 mt -69.01 127.12 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -136.55 144.59 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 37' ' ' SER . 4.8 tt0 -57.84 124.92 20.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 110.26 -29.35 9.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 45.1 m-20 -39.18 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -112.29 115.38 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.06 130.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.23 -51.06 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.25 146.64 46.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.54 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 30.8 mt -111.88 110.5 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 70.33 10.08 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.89 15.46 14.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.409 HG11 ' CE ' ' A' ' 67' ' ' MET . 49.8 t -121.36 112.28 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -41.23 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 38.2 p -118.75 -34.16 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -28.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -90.96 -34.13 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' THR . 26.2 mtm -84.0 139.7 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.4 p -73.33 -175.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.13 -38.07 87.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.636 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.7 -62.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mt-10 -38.17 -45.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.14 88.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-30 -64.36 -51.3 64.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -52.65 -30.41 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -38.29 90.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 ' CD1' ' CZ ' ' A' ' 22' ' ' PHE . 79.7 mt -55.46 -52.06 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -35.04 71.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -50.31 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.08 152.86 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -135.93 -74.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -56.19 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -138.85 144.62 39.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp -114.85 104.93 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -92.7 145.31 24.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.54 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 13.7 mt -145.95 121.68 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -91.02 118.41 30.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 1.4 mp -107.61 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.43 136.22 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -71.98 118.89 15.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -165.19 104.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -94.21 126.46 39.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.7 p90 -132.0 177.34 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.6 p -136.65 162.68 32.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 50' ' ' LEU . 8.2 t -123.5 140.4 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -116.33 101.29 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 12.2 mt -102.33 99.44 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -62.06 130.48 45.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.25 152.38 21.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.01 142.28 74.27 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.972 0.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.77 -90.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.05 174.29 53.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 0.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -95.52 98.5 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 59.91 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 76' ' ' ILE . 4.1 p90 -148.88 133.41 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -95.78 169.79 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.1 mt -109.23 153.5 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.03 171.73 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.12 -136.21 0.97 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.73 159.43 12.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -46.95 -37.62 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.65 -48.43 81.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -91.32 19.68 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 43.97 36.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -128.99 163.32 46.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.22 13.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 102.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 55' ' ' LEU . 2.6 p -115.29 167.17 11.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 39' ' ' ILE . 4.3 mm -79.83 93.42 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -42.19 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.42 165.36 36.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 50' ' ' LEU . 37.8 mt -135.69 148.1 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 10.3 m -82.74 144.89 49.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.0 113.29 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.99 -22.86 22.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.8 p -63.8 156.88 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -57.06 -29.52 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 39' ' ' ILE . . . -62.89 -32.7 74.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.62 -3.8 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.73 31.31 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 56.6 p -126.4 -84.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 48' ' ' SER . 12.4 mt-30 -166.55 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 4.5 pp -66.49 121.78 16.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -118.17 174.52 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.25 143.9 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 89.62 -27.51 7.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLY . 6.5 m-20 -39.57 155.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.5 OUTLIER -110.76 107.02 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.0 130.92 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.15 -42.87 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.25 156.13 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 85' ' ' LEU . 73.0 mt -126.47 110.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' SER . 7.3 t0 72.12 11.23 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.94 15.78 19.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 11.5 t -121.27 112.74 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 64' ' ' THR . 31.9 t-20 -48.47 148.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 22.8 p -105.3 9.78 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 66' ' ' THR . 12.3 t70 -81.4 58.27 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 170.44 -32.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.1 ptp -77.51 135.53 38.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -75.0 174.04 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -50.47 -50.97 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.41 -60.96 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-10 -38.54 -43.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.89 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.1 mt-30 -64.3 -49.23 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.95 -29.9 63.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.43 ' HE2' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -62.11 -35.17 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 22' ' ' PHE . 84.5 mt -58.93 -52.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -44.92 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.4 t -41.32 -53.88 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.4 155.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 m -132.39 -80.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -55.92 -56.84 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -139.35 162.91 33.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.8 tp -123.19 88.25 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -80.32 144.39 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 59' ' ' ILE . 8.3 mt -143.97 135.22 25.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.4 m -104.89 115.15 29.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.521 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -107.72 171.96 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.76 142.95 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -71.33 116.4 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.1 103.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -88.26 122.97 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.9 p90 -132.08 177.55 7.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -136.71 169.57 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.056 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -131.44 146.14 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -128.5 95.72 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -101.51 109.45 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -68.0 127.2 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.43 152.6 22.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 144.33 80.62 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.996 0.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.499 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.34 -86.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.499 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.37 53.06 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' CD2' HD21 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -93.82 98.22 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 58.56 3.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE1' HD12 ' A' ' 76' ' ' ILE . 3.2 p90 -145.72 136.12 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -96.82 170.08 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.0 mt -114.35 156.84 23.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.54 170.5 11.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.74 -147.24 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.15 166.68 11.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.86 -30.85 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -45.82 82.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.63 -0.36 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.81 22.38 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.83 164.37 17.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.07 11.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 102.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 25' ' ' GLN . 1.3 p -116.39 164.37 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -73.47 105.95 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 168.69 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.428 HG23 ' CB ' ' A' ' 45' ' ' ALA . 96.5 mt -142.78 138.81 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 138.17 28.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.03 -21.76 32.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -69.43 178.66 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.428 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -63.69 -23.71 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.42 15.89 18.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -138.77 11.88 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -122.28 -138.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -118.99 20.66 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' A' ' 87' ' ' LEU . 3.8 mt -91.13 122.11 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -128.93 142.69 50.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.63 121.88 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.99 -27.39 10.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' GLY . 63.8 m-20 -39.19 156.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.63 112.7 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -80.42 130.1 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.26 -44.48 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.65 155.67 46.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.47 HG23 ' CD2' ' A' ' 85' ' ' LEU . 57.8 mt -127.13 110.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 t0 71.06 11.22 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.3 16.23 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.421 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 15.6 t -122.48 113.08 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.6 t-20 -43.18 162.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.1 p -121.97 12.93 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 6.5 t70 -90.16 15.98 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -147.47 19.46 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 63' ' ' ASN . 19.4 ptp -131.92 138.16 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -77.38 159.96 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -40.03 -57.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLU . 13.2 tp -56.73 -58.67 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mm-40 -37.18 -56.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.43 ' CB ' ' SD ' ' A' ' 67' ' ' MET . . . -54.54 -51.04 66.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -50.18 -38.05 37.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -32.26 73.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HB3' ' CG2' ' A' ' 59' ' ' ILE . 2.9 tptt -60.01 -30.19 68.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 22' ' ' PHE . 66.2 mt -64.89 -51.18 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -65.65 -42.91 90.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -45.14 -51.52 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.46 155.2 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -131.93 -89.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.89 -56.74 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.45 159.06 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 20' ' ' TRP . 20.7 tp -121.73 93.25 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -82.81 144.03 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 59' ' ' ILE . 14.2 mt -147.65 119.58 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -90.83 118.56 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -108.83 171.08 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.8 130.56 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -65.66 112.11 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.65 108.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -96.41 128.64 43.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.0 p90 -133.85 177.02 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.9 p -135.52 163.82 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 50' ' ' LEU . 3.4 t -128.1 134.88 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 m -104.45 110.48 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 50' ' ' LEU . 34.7 mt -109.51 94.68 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -67.51 126.08 28.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.02 156.08 25.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.06 137.45 50.4 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.987 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.2 -92.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.03 174.47 52.55 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.577 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.2 m95 -90.96 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.26 50.84 4.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 76' ' ' ILE . 2.7 p90 -144.57 131.01 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 2.3 mtm180 -96.57 168.94 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 34' ' ' LEU . 63.2 mt -111.65 158.83 18.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -130.02 172.02 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.55 -145.63 0.12 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.2 176.78 14.58 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -58.09 -31.91 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.62 -45.02 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -88.61 17.89 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 41.07 32.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 mmm -128.89 162.85 49.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.78 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.456 ' CG2' HD12 ' A' ' 55' ' ' LEU . 4.2 p -113.41 158.0 21.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mm -68.13 98.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 10.9 t -48.04 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.08 172.22 13.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -142.39 140.94 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -85.24 140.86 36.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.96 116.72 4.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.61 -36.09 4.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.1 p -54.3 162.09 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -24.15 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . . . -68.19 -31.46 71.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.61 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -137.31 11.01 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -113.27 -132.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.24 4.08 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' CG1' ' A' ' 12' ' ' VAL . 2.7 pp -90.55 124.41 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -123.36 174.02 7.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.96 132.59 40.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.78 -25.32 27.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -40.17 155.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.456 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.63 104.15 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.75 132.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.85 131.47 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 30.8 mt -89.48 108.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.9 t0 68.9 7.22 6.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.85 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.5 p -120.5 103.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.6 t-20 -39.75 146.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 50.9 p -117.54 -8.86 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 3.0 m-20 -58.99 -24.27 62.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 t -101.15 -20.3 15.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.468 ' CE ' HG11 ' A' ' 62' ' ' VAL . 1.2 mtm -88.9 140.31 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.8 p -82.59 164.3 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.17 -56.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.603 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.29 -59.32 5.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.71 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.71 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.13 -45.44 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.87 -32.87 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 8.6 tptt -60.68 -51.87 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.531 HD13 ' CE1' ' A' ' 22' ' ' PHE . 32.6 mt -41.67 -48.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -48.55 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -39.21 -49.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.85 150.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.26 -57.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -55.09 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.15 138.07 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 19.6 tp -104.26 90.11 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.5 m -86.28 145.1 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.491 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 6.4 mt -142.71 128.02 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.9 m -97.52 114.3 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -106.2 171.44 7.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.16 141.33 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -68.4 125.22 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -169.48 115.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -89.05 128.15 35.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -141.62 177.95 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -141.8 165.37 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -129.91 138.07 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -109.37 97.73 7.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 99.0 mt -102.62 97.05 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.0 m -68.05 139.05 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.487 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.11 160.06 16.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 135.95 42.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.01 -0.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -57.66 -89.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.4 52.87 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -91.81 97.91 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.87 54.67 3.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 6.2 p90 -143.09 133.59 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.19 169.68 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.06 161.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -131.21 172.77 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.99 -136.38 10.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 168.89 19.51 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 -33.98 40.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.69 -47.08 85.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -92.71 24.61 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 42.01 32.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -127.23 163.11 44.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.31 15.28 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.44 102.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 55' ' ' LEU . 1.7 p -116.69 166.04 12.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.1 mm -77.99 116.38 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 11.3 t -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 163.7 29.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.4 HG21 ' CB ' ' A' ' 45' ' ' ALA . 94.0 mt -142.82 135.25 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 6.3 m -84.42 145.47 45.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.0 137.63 21.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.34 -28.32 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.5 p -62.34 164.48 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.97 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 39' ' ' ILE . . . -70.51 -19.12 62.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.66 16.79 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -135.59 9.72 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.1 p -121.2 -134.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 -3.76 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 4.1 mt -68.78 122.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -131.04 156.78 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.9 tt0 -70.12 117.76 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.17 -21.89 16.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -40.22 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -113.81 102.58 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.5 131.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.1 -62.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.49 132.8 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.537 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 44.4 mt -91.15 108.3 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.4 t0 69.12 6.94 5.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.84 20.16 6.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.7 p -120.52 104.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' VAL . 25.5 t-20 -40.33 146.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' MET . 43.3 p -113.58 -20.28 11.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.35 -30.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -93.45 -30.85 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.468 ' CE ' HG12 ' A' ' 62' ' ' VAL . 1.4 mtm -81.89 122.27 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.6 p -66.78 -174.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -59.0 -49.53 77.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.82 -57.31 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -43.09 -53.64 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.04 -28.92 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -23.74 59.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' CG ' HG21 ' A' ' 59' ' ' ILE . 15.4 tptt -71.61 -29.02 64.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.517 HG22 ' CD1' ' A' ' 20' ' ' TRP . 68.8 mt -65.9 -48.1 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -45.07 91.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -43.66 -48.09 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.2 147.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -127.57 -71.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.3 -53.0 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -137.48 173.32 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 76' ' ' ILE . 10.1 tp -141.31 94.24 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.4 m -87.78 145.9 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 6.3 mt -141.91 130.03 22.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 m -100.99 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -107.03 171.59 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.35 135.16 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 9.2 mmtt -74.48 116.24 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -175.92 110.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 p -86.15 132.8 33.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 p90 -144.05 177.72 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -141.28 165.0 28.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 50' ' ' LEU . 11.3 t -127.67 146.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -118.23 97.77 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -100.87 108.45 20.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -74.69 134.34 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -98.22 153.88 20.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.99 150.61 95.73 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 -0.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -73.01 -89.49 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.38 53.0 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.492 ' CD1' HG23 ' A' ' 76' ' ' ILE . 1.3 m95 -91.9 97.78 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.7 53.05 4.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.1 p90 -142.81 138.46 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.05 169.7 8.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.16 154.75 28.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -122.83 170.49 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.08 -140.6 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.82 167.66 12.41 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -50.6 -43.96 56.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -84.83 9.16 14.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 49.93 25.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mmm -126.11 163.7 38.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.35 11.38 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -59.44 102.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLN . 3.3 p -112.81 158.53 20.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 39' ' ' ILE . 9.7 mm -68.87 92.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -41.77 -66.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 158.16 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CD1' HG23 ' A' ' 36' ' ' ILE . 24.2 mt -133.28 146.7 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.419 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -82.8 145.23 49.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.94 127.07 10.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.7 -19.46 54.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.5 p -63.57 161.21 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -60.08 -47.26 86.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.2 -35.53 49.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.23 18.79 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.9 mt-30 -139.74 12.3 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -112.15 -74.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 48' ' ' SER . 5.1 mt-30 -172.93 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -63.58 124.69 22.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.4 m -124.77 174.34 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -73.48 125.87 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.05 -28.89 9.31 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' GLY . 89.4 m-20 -39.75 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -109.13 104.04 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.6 t -77.07 131.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -57.38 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 147.91 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 83.9 mt -116.99 110.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 68.15 21.36 8.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 24.48 20.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -130.29 110.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 9.7 t-20 -47.19 157.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' VAL . 69.2 p -118.57 -8.71 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 10.6 t0 -62.22 -17.69 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 12.0 mtm -88.57 142.3 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -79.1 173.55 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -51.73 -57.2 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.15 -59.86 4.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -38.65 -63.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.35 -50.88 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.09 -44.22 87.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -32.32 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.41 -42.06 95.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.556 HD13 ' CE1' ' A' ' 22' ' ' PHE . 70.8 mt -52.14 -47.65 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -68.5 -53.12 25.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -50.48 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -131.19 -88.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -56.89 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.55 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 20' ' ' TRP . 30.2 tp -134.68 89.61 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -80.05 147.42 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 17.1 mt -147.27 124.77 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.7 m -96.76 114.88 26.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -105.43 171.42 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.31 130.74 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.89 103.72 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.414 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.5 OUTLIER 177.08 101.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -87.86 128.55 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.66 177.33 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -136.7 163.16 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -127.54 149.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -130.15 95.52 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 20.9 mt -100.23 102.12 13.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.8 m -63.25 140.51 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -102.81 152.92 18.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.03 144.7 81.75 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.969 0.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.51 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.58 -90.02 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.566 1.167 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.51 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.33 53.27 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.976 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.497 ' CE3' HD23 ' A' ' 83' ' ' LEU . 1.1 m95 -93.94 98.51 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.65 56.55 3.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p90 -149.78 134.25 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -99.69 168.21 10.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 34' ' ' LEU . 64.4 mt -111.1 159.48 17.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -127.14 172.83 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -147.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.6 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -34.41 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.08 -45.13 67.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -82.11 4.86 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.86 23.28 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -123.98 163.3 36.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -59.8 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 ' CG2' HD13 ' A' ' 55' ' ' LEU . 6.3 p -114.41 161.71 17.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 12.5 mm -70.96 98.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 15.6 t -49.93 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.66 164.73 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.42 HG22 ' CB ' ' A' ' 45' ' ' ALA . 97.4 mt -140.54 138.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 43' ' ' SER . 27.5 m -88.22 139.66 30.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.5 16.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -15.78 61.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 40' ' ' THR . 84.7 p -77.54 163.12 26.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -24.55 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 39' ' ' ILE . . . -73.86 -25.66 60.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.26 18.28 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -140.18 12.79 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -122.43 -139.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -118.4 24.78 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 87' ' ' LEU . 4.5 mt -98.78 125.0 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m -136.79 152.76 50.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.76 124.0 19.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.6 -26.92 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 85.5 m-20 -41.56 155.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.774 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -112.21 104.07 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.7 t -76.31 132.8 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.3 -65.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.7 145.87 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.465 HG23 ' CD2' ' A' ' 85' ' ' LEU . 96.5 mt -110.27 110.63 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.5 t0 64.85 17.44 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.54 19.46 15.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.13 108.45 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -47.67 150.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' VAL . 41.8 p -114.43 -16.79 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -23.45 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -98.73 -19.82 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 15.6 mtm -96.85 147.12 24.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.0 p -73.16 -178.46 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.58 -55.34 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.57 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -55.8 -57.94 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 3.7 mm-40 -36.99 -59.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 34' ' ' LEU . . . -51.41 -43.33 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.4 mt-30 -64.29 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 70' ' ' LEU . 5.8 m-20 -46.69 -33.05 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -39.66 82.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' GLN . 77.3 mt -55.1 -48.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.04 -43.9 94.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -44.8 -46.9 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 152.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -91.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.044 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -56.07 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.3 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.497 HD23 ' CE3' ' A' ' 20' ' ' TRP . 4.8 tp -136.12 109.69 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -99.06 140.95 32.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.976 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.4 mt -143.78 119.9 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.4 m -92.3 119.99 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.372 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -109.28 171.79 7.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.95 131.27 25.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 8' ' ' MET . 43.5 mmtt -67.58 120.74 14.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.48 111.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 p -90.46 126.25 35.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 p90 -135.96 177.68 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -143.24 154.35 43.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 4.5 t -115.33 137.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -116.0 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 48' ' ' SER . 14.9 mt -105.9 117.84 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 22.3 m -75.16 133.49 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -97.41 151.72 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 147.53 89.51 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.039 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.75 -85.67 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.03 174.28 53.5 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.957 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.57 97.75 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.45 55.66 4.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p90 -144.87 137.83 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -104.73 168.79 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 73' ' ' GLN . 16.7 mt -110.41 163.96 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -131.6 167.9 18.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -138.8 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ASN . . . 122.95 172.4 13.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -35.94 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -46.94 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.2 2.24 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLY . 41.3 m-20 59.54 20.13 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.07 164.52 18.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 128.06 11.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -62.38 102.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -114.34 157.26 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -66.04 98.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.9 t -50.12 -72.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 168.97 18.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.2 mt -142.13 136.69 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 13.8 m -85.06 144.92 42.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.97 129.54 12.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.42 -37.65 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -52.06 166.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -23.86 67.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.5 -31.59 70.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 21.54 10.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.04 12.06 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 84.9 p -119.52 -134.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.64 4.54 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -89.19 122.79 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 m -121.92 174.0 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 37' ' ' SER . 7.9 tt0 -75.37 136.28 40.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.25 -27.68 18.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLY . 61.7 m-20 -39.82 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.07 112.06 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 37.0 t -81.59 131.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -63.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.9 133.07 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.573 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 59.8 mt -94.97 108.41 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 27.9 t0 67.55 7.77 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.56 21.22 6.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.4 p -123.92 107.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -41.03 152.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 59' ' ' ILE . 68.7 p -118.26 -37.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.75 -36.05 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.04 -36.33 30.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 mtm -78.84 154.62 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 79.1 p -84.44 172.48 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -55.04 -54.37 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.42 -56.08 25.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 14.6 mm-40 -40.48 -64.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.3 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 4.3 mt-30 -49.93 -45.78 51.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -30.17 69.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -36.53 83.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.16 -50.98 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -65.32 -48.56 72.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -40.43 -55.08 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 152.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m -127.91 -86.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -56.76 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' OG1' ' A' ' 15' ' ' THR . 4.1 m120 -140.41 169.69 17.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.91 91.42 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.451 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.7 m -82.65 142.78 31.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 11.1 mt -144.65 118.5 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 m -89.71 116.76 28.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.433 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -108.29 171.12 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.62 140.33 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 109.14 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -170.2 102.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -89.93 128.4 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.2 p90 -135.49 177.5 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.7 p -137.46 162.05 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.402 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 4.8 t -122.58 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.2 m -117.58 96.22 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 27.6 mt -100.8 98.72 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 m -68.11 135.84 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.93 153.46 19.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -74.98 143.86 79.16 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.975 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -65.41 -88.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.97 174.31 53.34 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.515 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.1 m95 -91.25 97.68 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 46.85 3.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 76' ' ' ILE . 2.7 p90 -136.97 149.09 47.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -115.19 169.89 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -114.43 164.12 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -130.09 170.56 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.35 -140.59 0.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.56 12.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -35.63 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.73 -46.6 78.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -86.85 14.69 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 46.18 34.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.97 163.54 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 128.44 11.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.97 102.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -115.17 157.24 23.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 17.6 mm -64.17 104.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.3 t -58.15 -75.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 167.41 20.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CD1' HG21 ' A' ' 36' ' ' ILE . 79.1 mt -143.93 133.24 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.3 m -84.08 143.91 43.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 135.54 19.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.36 -29.62 8.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 p -56.89 170.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -27.61 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.18 -22.7 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.78 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.56 10.17 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 49' ' ' GLN . 51.7 p -119.32 -135.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 48' ' ' SER . 11.9 mt-30 -113.35 -2.8 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 15.3 mt -69.48 122.2 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -133.5 150.57 51.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.5 tt0 -63.58 121.94 15.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.62 -29.18 8.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.476 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 62.2 m-20 -38.83 155.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -110.87 114.86 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.67 131.17 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.98 -63.62 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.25 133.28 46.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.572 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 44.8 mt -92.44 108.16 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 14.8 t0 68.24 7.32 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.67 21.53 6.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.1 p -122.85 106.63 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.8 t-20 -39.49 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.46 HG21 ' CD1' ' A' ' 59' ' ' ILE . 63.0 p -114.99 -32.8 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -36.38 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -81.06 -32.26 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.476 ' CE ' HG13 ' A' ' 62' ' ' VAL . 3.5 mtm -81.41 154.88 26.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -85.11 -179.85 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -61.13 -52.14 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.47 -58.08 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -38.59 -59.33 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.23 61.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -61.15 -37.34 82.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.466 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.5 OUTLIER -61.55 -43.13 99.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 22' ' ' PHE . 78.7 mt -51.7 -50.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -44.77 89.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -46.18 -46.74 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.75 148.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t -137.18 -50.12 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.77 -55.06 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -139.16 147.19 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.515 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 22.6 tp -116.25 85.99 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.1 m -82.22 146.05 29.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.572 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 10.4 mt -144.73 119.74 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.1 m -89.79 118.49 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -108.38 172.11 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.04 133.36 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -68.28 122.5 18.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttp 179.25 105.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -88.35 123.49 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.6 p90 -132.91 177.7 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -137.57 169.73 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 50' ' ' LEU . 39.4 t -130.31 151.13 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -127.3 101.5 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 mt -107.27 102.98 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -68.37 131.0 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.515 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.34 150.52 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.03 146.4 86.53 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.006 0.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.98 -89.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.01 174.14 54.25 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.978 0.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.513 ' CD1' HG22 ' A' ' 76' ' ' ILE . 1.4 m95 -90.7 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.99 50.82 3.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 76' ' ' ILE . 3.4 p90 -144.22 130.27 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.21 170.24 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD11 ' CG ' ' A' ' 73' ' ' GLN . 37.3 mt -112.25 160.27 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -128.94 171.75 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.22 -141.08 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.58 163.25 11.7 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.08 -34.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.99 -46.46 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -89.73 20.46 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 41.03 35.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.2 mmm -132.27 163.1 52.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 55' ' ' LEU . 4.1 p -113.59 159.46 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 39' ' ' ILE . 8.5 mm -71.3 101.27 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.0 t -50.17 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.404 ' HD2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -142.68 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 50' ' ' LEU . 73.1 mt -138.68 139.4 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -87.76 132.97 38.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.66 -22.67 5.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 p -74.96 169.36 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.52 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -64.48 -20.45 66.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.51 16.87 23.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -136.08 10.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -111.56 -130.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -133.83 14.33 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.9 pp -96.02 121.77 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -121.12 167.81 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' SER . 8.0 tt0 -69.58 136.68 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 98.63 -24.8 30.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 70.0 m-20 -40.0 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.55 103.49 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -75.83 133.0 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.7 -62.56 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HB3' ' N ' ' A' ' 63' ' ' ASN . . . -128.94 130.99 47.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.538 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 20.5 mt -89.27 108.59 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 68.58 7.75 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.48 21.98 6.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.9 p -121.76 103.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.411 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 26.5 t-20 -40.31 145.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.9 p -115.73 -13.75 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -55.13 -22.91 18.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -102.49 -21.99 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -87.12 142.76 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 62.8 p -81.63 167.19 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -47.28 -53.15 14.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.55 -57.37 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 4.2 mm-40 -38.22 -61.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.22 -55.06 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' CG ' HD11 ' A' ' 24' ' ' LEU . 1.6 mt-30 -48.74 -43.32 37.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -26.02 53.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -70.64 -54.0 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' A' ' 22' ' ' PHE . 65.4 mt -40.48 -49.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.25 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -48.69 -52.12 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.5 157.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.6 -88.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -56.19 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -143.06 151.65 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.6 tp -114.35 87.86 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.9 m -81.39 144.04 31.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.538 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 9.9 mt -143.97 131.52 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -101.49 114.79 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -106.9 172.35 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.03 137.82 31.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 111.55 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -177.91 112.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 p -89.11 123.17 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.85 177.58 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 p -144.21 156.11 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -115.43 147.93 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.0 m -127.12 96.58 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -101.1 150.79 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.4 m -106.83 141.33 38.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -105.47 151.19 17.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.5 Cg_endo -74.98 143.22 77.13 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.029 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.05 -89.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.5 Cg_endo -74.97 174.28 53.46 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.037 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.3 m95 -90.14 97.51 11.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.15 51.93 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.7 p90 -145.16 131.13 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 18.3 mmt180 -101.38 160.08 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.97 150.81 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -120.52 164.43 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.14 -144.95 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' MET . . . 138.48 -179.46 18.39 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -61.92 -35.43 78.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.77 3.76 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.93 19.72 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLY . 68.1 mtp -114.14 158.39 39.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.18 12.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLN . 5.2 p -113.74 158.62 20.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 14.5 mm -68.97 97.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 28.8 t -46.0 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 166.58 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' A' ' 45' ' ' ALA . 63.6 mt -138.93 139.54 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 m -84.92 137.5 37.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.89 -24.11 8.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.7 p -72.59 161.19 31.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -35.72 60.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 50' ' ' LEU . . . -60.22 -26.46 66.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 17.07 22.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -136.69 11.09 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -112.83 -129.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -130.89 6.39 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 3.6 pp -93.55 121.79 35.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -120.59 173.17 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.04 136.55 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.44 -25.07 29.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 88.7 m-20 -40.12 156.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -111.44 103.2 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -75.08 132.41 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.22 -63.78 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 140.6 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 49.0 mt -97.71 107.39 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 2.4 t70 69.16 4.15 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.59 8.3 9.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 9.4 p -112.01 108.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 13.5 t-20 -44.77 151.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' VAL . 57.5 p -114.11 -21.69 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 23.2 t0 -53.55 -21.67 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -96.89 -22.4 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.445 ' CE ' HG12 ' A' ' 62' ' ' VAL . 1.7 mtm -94.89 153.0 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -85.53 172.7 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -52.12 -52.29 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.02 -57.87 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -39.11 -61.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.12 -49.22 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -54.29 -53.54 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -34.64 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.83 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 22' ' ' PHE . 82.0 mt -52.58 -50.03 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -64.25 -48.52 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 t -40.74 -51.79 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.41 159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -139.86 -70.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -56.35 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.32 164.75 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.421 ' CD2' HG22 ' A' ' 76' ' ' ILE . 17.8 tp -132.48 87.62 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 m -81.28 143.09 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD2' HG22 ' A' ' 59' ' ' ILE . 5.9 mt -142.11 122.45 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 m -92.52 116.94 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -107.47 172.41 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.64 129.23 22.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -67.5 117.04 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.94 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.8 OUTLIER -175.81 108.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.0 p -92.02 117.48 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 8.5 p90 -128.61 177.3 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -136.21 160.94 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.27 133.95 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.8 m -110.87 109.49 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -114.22 108.85 17.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.6 m -71.41 128.07 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -93.97 155.07 21.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.1 Cg_endo -75.01 145.66 84.52 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.002 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.18 -85.29 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -74.93 174.05 54.63 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.009 -0.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.426 ' CD1' HG21 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -91.53 97.63 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.5 54.66 4.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.9 p90 -141.85 133.95 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -100.22 165.67 11.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -110.5 163.99 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -129.63 172.94 11.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -140.96 0.33 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.8 176.6 14.52 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -61.76 -39.56 92.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -43.71 94.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -84.61 6.6 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 52.0 34.93 14.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -134.0 163.38 51.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -60.71 102.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLN . 1.3 p -115.87 158.72 22.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 39' ' ' ILE . 19.3 mm -65.7 109.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -64.59 -69.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.52 163.9 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 36' ' ' ILE . 96.5 mt -140.48 142.42 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -84.08 143.19 42.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.49 6.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.4 -13.19 54.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -70.96 158.66 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -23.17 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.25 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.86 7.01 43.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -132.53 28.07 4.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -133.07 -104.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -145.14 15.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.407 ' CD2' HD23 ' A' ' 87' ' ' LEU . 6.3 mt -94.67 121.83 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -127.95 156.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.27 110.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 124.07 -28.57 5.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 96.7 m-20 -38.62 156.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -110.47 112.67 24.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.5 t -82.14 129.39 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.02 -65.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.92 136.51 54.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 81.8 mt -101.18 107.66 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 23.0 t70 67.24 6.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.63 16.4 7.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.4 p -121.61 111.95 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -48.35 153.52 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 59' ' ' ILE . 70.8 p -115.17 -14.32 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -20.77 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -111.33 18.54 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 48.9 mtm -130.57 136.11 48.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 p -73.84 163.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -44.56 -50.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.65 -59.93 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -38.84 -56.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.28 -47.88 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.06 -45.49 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -33.82 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -38.85 80.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 22' ' ' PHE . 68.5 mt -57.94 -50.19 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -47.88 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.21 -56.22 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.23 161.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 -87.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.5 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -137.02 148.24 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 14.5 tp -119.48 93.98 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.1 m -86.83 145.34 26.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.516 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 8.0 mt -144.12 123.28 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.0 m -92.18 119.47 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -108.07 171.95 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.63 142.18 32.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -88.84 118.6 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.025 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp -169.0 100.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -92.42 127.77 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.6 p90 -133.45 177.42 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 p -136.35 164.17 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 50' ' ' LEU . 3.5 t -129.04 136.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.2 m -111.0 99.69 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 47.6 mt -102.4 99.43 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -63.9 140.53 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.503 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.47 154.7 17.5 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.503 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.97 143.83 79.06 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.008 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.499 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.77 -89.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.499 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.31 53.38 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.006 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.4 m95 -90.73 97.53 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.99 45.79 3.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.9 p90 -139.79 137.23 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -103.36 170.0 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 34' ' ' LEU . 85.8 mt -108.76 152.43 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.8 OUTLIER -120.31 165.82 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.18 -147.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.07 174.56 13.41 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.98 74.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -39.61 78.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -99.61 -1.01 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 72.94 13.55 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.2 mtp -104.94 158.82 31.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.51 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.45 102.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.0 p -115.18 161.74 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 39' ' ' ILE . 13.7 mm -69.31 97.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.407 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 2.7 t -46.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.33 166.42 27.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 36' ' ' ILE . 67.3 mt -139.89 139.42 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -82.54 143.86 48.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.75 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.07 -17.74 37.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -70.15 163.7 25.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -63.46 -31.32 72.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -64.0 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.48 -14.34 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -123.79 29.6 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 28.9 p -120.54 -85.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.72 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 3.6 pp -67.12 127.73 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -124.47 174.03 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.65 138.44 50.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.79 -31.0 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' GLY . 76.3 m-20 -39.33 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.76 113.67 26.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 t -83.1 131.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.8 -60.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.05 136.47 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.531 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 18.1 mt -96.83 107.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.1 t0 67.65 6.17 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.51 15.14 7.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.2 p -120.09 108.8 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.67 151.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 28.3 p -118.59 -35.22 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -44.56 -30.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -86.93 -35.26 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.468 ' CE ' HG13 ' A' ' 62' ' ' VAL . 3.6 mtm -78.28 147.83 34.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' HB2' ' A' ' 71' ' ' GLU . 68.8 p -77.33 160.87 28.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -42.0 -51.95 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' GLN . 12.0 tp -61.47 -56.36 21.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HB2' ' N ' ' A' ' 68' ' ' THR . 3.1 mm-40 -38.96 -55.16 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.2 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-30 -57.06 -39.56 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -63.65 -35.92 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.94 -53.34 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.45 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -49.64 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.04 148.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 -50.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.06 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -56.81 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -141.54 140.93 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 35.2 tp -99.27 86.29 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ASP . 2.2 m -85.05 141.31 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 59' ' ' ILE . 6.1 mt -143.1 134.55 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -104.15 116.2 31.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -106.78 171.71 7.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.71 141.05 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -70.88 116.12 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.944 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.71 113.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.751 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -89.65 124.7 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 6.3 p90 -133.55 177.56 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -140.73 160.95 38.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 4.2 t -125.91 136.81 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -103.45 96.7 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 36.7 mt -95.63 84.76 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.8 m -61.58 132.58 53.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -96.75 156.45 21.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.05 146.25 86.1 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.983 0.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.55 -93.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.93 174.43 52.67 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.004 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.464 ' CD1' HG21 ' A' ' 76' ' ' ILE . 2.0 m95 -92.92 97.97 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.89 37.22 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' A' ' 76' ' ' ILE . 4.3 p90 -128.74 138.28 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -103.35 169.39 8.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' CD1' HD23 ' A' ' 34' ' ' LEU . 72.1 mt -113.12 159.52 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -124.55 169.58 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -142.71 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.73 166.46 12.29 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -49.13 -37.07 20.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -85.9 9.14 17.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.84 21.13 3.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -117.2 163.2 24.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 128.18 11.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.15 102.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 p -115.61 158.21 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 39' ' ' ILE . 15.9 mm -65.22 104.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 12.9 t -58.52 -74.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 166.58 22.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 36' ' ' ILE . 79.9 mt -144.05 135.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -83.03 136.88 43.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.02 12.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.25 -14.05 66.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -78.39 173.98 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -40.54 92.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.6 57.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.97 21.24 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -140.52 13.19 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -124.24 -136.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.968 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -113.7 -1.07 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 12' ' ' VAL . 5.4 mt -68.97 122.29 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -132.98 142.87 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.8 tt0 -56.49 124.2 17.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 109.6 -28.83 10.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.448 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 51.7 m-20 -38.99 156.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.98 113.95 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.58 131.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.5 -61.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 134.15 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.524 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 81.1 mt -96.2 107.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 42.6 t0 67.02 7.21 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.48 18.06 6.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.2 p -123.02 108.39 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 26.2 t-20 -44.05 152.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.8 p -115.93 -14.13 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 7.1 t0 -63.01 -14.94 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -110.93 -3.25 15.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mtm -110.37 133.71 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -69.57 162.98 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -44.48 -51.06 9.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.96 -58.93 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -39.42 -56.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -57.62 -46.61 83.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.413 ' CE ' HG13 ' A' ' 62' ' ' VAL . 1.2 tmtt? -65.25 -35.44 81.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 22' ' ' PHE . 50.2 mt -63.89 -43.39 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -68.13 -42.43 80.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -47.67 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . . . -41.27 152.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -58.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -54.79 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 2.4 p30 -136.29 144.25 44.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 79' ' ' ALA . 7.4 tp -116.95 94.11 4.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -86.61 147.03 26.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 59' ' ' ILE . 11.2 mt -144.35 119.69 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.4 m -90.44 115.58 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -107.56 170.77 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.22 146.04 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 110.25 19.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.412 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 2.3 mtp -178.33 111.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -90.84 125.52 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.5 p90 -137.22 177.43 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -141.94 159.29 42.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 5.1 t -120.48 150.29 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.2 m -129.3 104.44 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . 5.4 mt -110.69 119.77 40.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.2 m -76.15 123.59 26.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.504 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -89.64 155.24 24.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.504 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.03 147.63 89.7 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.024 0.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.26 -88.16 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.2 53.93 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.991 0.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CE3' HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -91.06 97.55 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.91 52.82 4.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.4 p90 -143.23 133.9 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 0.801 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -101.29 170.27 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 mt -117.91 158.26 25.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' NE2' ' OG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -131.01 167.34 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.72 -130.3 12.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.03 175.19 20.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -32.19 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.55 -46.31 88.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -92.37 21.49 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 47.0 33.41 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.0 163.46 43.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.95 14.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 102.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 55' ' ' LEU . 1.1 p -116.47 164.08 15.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.45 HG23 ' CD1' ' A' ' 39' ' ' ILE . 5.2 mm -77.48 108.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -57.67 -63.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -148.78 170.82 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.45 ' CD1' HG23 ' A' ' 36' ' ' ILE . 69.6 mt -143.45 144.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -87.39 139.02 31.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 125.81 9.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.35 78.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.7 p -81.85 167.56 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -16.52 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.444 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -81.77 -20.35 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.78 8.79 31.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -117.42 -29.57 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 87.2 p -76.26 -127.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.83 10.3 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 45' ' ' ALA . 3.8 pp -91.34 121.6 33.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.71 168.66 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' SER . 38.5 tt0 -72.76 130.1 39.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.25 -22.64 34.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -40.69 153.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -106.69 104.14 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.4 t -77.11 130.33 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.99 -59.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 136.76 46.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.516 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 38.3 mt -95.35 107.62 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' SER . 10.6 t0 68.58 5.62 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 13.33 7.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.7 p -117.16 106.82 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -42.49 149.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 43.8 p -114.23 -27.64 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.12 -37.84 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -80.31 -36.28 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.7 mtm -78.59 154.16 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -88.09 -164.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -70.14 -57.25 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' GLN . 7.6 tp -58.85 -64.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.5 mm-40 -38.11 -54.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.25 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 mt-30 -57.83 -44.6 86.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.36 -26.83 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -71.51 -22.39 61.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.43 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 88.6 mt -77.02 -53.38 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -24.41 66.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -24.56 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.76 152.18 44.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 -64.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.09 -53.93 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.36 155.23 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.55 HD21 ' CE3' ' A' ' 20' ' ' TRP . 5.9 tp -124.22 106.89 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -98.89 145.54 26.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.466 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 8.6 mt -143.57 122.92 13.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.2 m -92.8 115.7 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -107.13 172.23 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.91 140.04 32.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -81.04 119.94 24.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.421 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -168.46 117.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 111.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -91.18 117.73 29.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 8.2 p90 -130.78 177.9 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.99 164.08 30.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 61.3 t -126.08 148.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -117.49 96.41 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 10.1 mt -100.17 92.36 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -66.51 141.51 57.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.82 154.87 17.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 143.99 79.54 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 110.993 0.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.513 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.23 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.513 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.989 0.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 14' ' ' LEU . 2.6 m95 -90.46 97.55 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.62 49.7 3.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.3 p90 -142.47 143.17 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.737 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -108.79 165.78 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' A' ' 34' ' ' LEU . 64.9 mt -108.46 164.33 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -130.01 173.38 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.28 -144.88 0.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.21 171.69 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -56.34 -34.96 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -45.46 81.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.9 11.73 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 47.24 35.53 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmm -131.31 164.26 43.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.8 11.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' CD2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.6 102.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' HD12 ' A' ' 55' ' ' LEU . 5.6 p -114.23 161.46 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 11.1 mm -70.97 97.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -72.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 164.21 32.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.417 ' CD1' HG21 ' A' ' 36' ' ' ILE . 67.0 mt -139.05 143.01 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -94.26 146.5 31.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.02 132.02 14.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.83 -45.46 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 p -49.22 170.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -62.59 -38.65 90.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.34 51.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.69 18.46 12.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -139.88 12.51 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.425 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 83.3 p -123.11 -134.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -117.64 1.87 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 87' ' ' LEU . 95.5 mt -68.55 128.03 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 31.5 m -140.32 146.69 38.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.83 119.92 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 113.62 -28.38 8.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.477 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 87.3 m-20 -39.17 154.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.83 104.62 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.93 132.04 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.91 -60.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.09 137.42 50.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.535 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 19.9 mt -94.92 107.48 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 4.4 t0 68.38 5.78 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.16 12.73 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.9 p -116.82 106.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -40.8 156.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 59' ' ' ILE . 30.9 p -124.81 0.29 8.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -65.56 -44.98 85.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -82.13 -14.34 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -92.25 138.22 31.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -80.85 164.99 22.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -43.26 -49.81 6.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 73' ' ' GLN . 7.8 tp -62.46 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mm-40 -38.51 -56.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.58 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -59.2 -39.01 81.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -31.54 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 1.0 OUTLIER -61.23 -44.26 97.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.464 HD13 ' CE1' ' A' ' 22' ' ' PHE . 84.6 mt -51.25 -53.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.93 -36.9 84.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -50.95 47.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.57 152.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.3 m -136.29 -55.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -54.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.96 146.36 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.413 HD21 ' CD2' ' A' ' 20' ' ' TRP . 25.3 tp -113.66 84.31 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 2.7 m -80.06 142.66 34.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 59' ' ' ILE . 8.2 mt -143.31 127.12 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.2 m -96.72 116.08 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -108.05 172.72 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.5 128.34 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -71.62 110.34 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.79 106.39 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t 178.74 123.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.97 138.05 13.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -92.08 147.62 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -132.17 162.06 31.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.2 -44.3 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.55 104.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 p -88.78 124.57 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.84 177.47 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -138.84 161.33 37.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -129.13 138.65 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -111.79 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 46.0 mt -96.97 89.34 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 m -56.78 146.86 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -109.86 156.2 15.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -74.97 154.2 99.57 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.026 -0.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -76.75 -91.72 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.41 52.85 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.959 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.522 ' CE2' HD22 ' A' ' 83' ' ' LEU . 2.1 m95 -89.19 97.41 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' THR . . . -87.01 52.72 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.158 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.2 p90 -144.81 135.49 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -103.26 164.48 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.458 ' CD1' HD23 ' A' ' 34' ' ' LEU . 76.7 mt -105.64 155.06 19.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -118.69 164.6 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.87 -140.94 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.06 -174.31 23.28 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -75.88 -41.24 52.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 11.2 p-10 -68.38 -10.3 54.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.9 -2.66 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.35 32.8 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.1 mtp -134.15 157.26 78.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 128.9 11.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.458 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.46 102.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' HD13 ' A' ' 55' ' ' LEU . 9.1 p -113.52 162.4 16.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 11.6 mm -73.34 95.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 42.8 t -49.22 -71.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 170.19 16.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.3 mt -144.58 143.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.426 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.0 m -82.91 133.5 48.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.95 -5.42 42.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -81.33 168.78 18.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.51 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.8 16.66 18.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.32 16.87 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 80.6 p -125.03 -120.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -125.39 0.81 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.491 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 12.4 mt -73.32 126.77 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.0 m -139.2 150.39 45.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' SER . 3.6 tt0 -63.39 123.12 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.68 -25.85 16.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.452 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 83.1 m-20 -39.92 156.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.44 105.04 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -77.16 132.32 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.37 -52.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.69 146.79 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.587 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 90.6 mt -117.04 110.59 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 67.47 19.28 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.84 23.02 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 43.1 t -129.23 111.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -46.19 158.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 33.4 p -114.33 -28.62 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -47.41 -25.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' THR . 8.3 t -97.51 -28.25 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.0 mtm -88.2 135.95 33.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -73.25 174.23 8.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -53.47 -47.53 69.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.4 tp -63.59 -61.63 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -38.72 -58.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.79 55.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -59.7 -46.83 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.363 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.64 -30.36 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -39.13 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.489 HG22 ' CD1' ' A' ' 20' ' ' TRP . 52.9 mt -54.64 -45.18 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -46.15 71.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -47.03 -49.62 20.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.74 153.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.4 -89.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -53.64 13.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.44 155.59 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.522 HD22 ' CE2' ' A' ' 20' ' ' TRP . 20.4 tp -119.95 91.67 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -84.3 144.36 28.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.587 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 15.9 mt -147.98 118.12 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.0 m -90.13 117.82 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -108.82 172.36 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.9 142.7 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.99 110.3 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 59.65 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -122.12 165.73 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.6 123.3 4.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -93.35 70.36 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -145.1 173.08 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.95 -46.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -174.24 109.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.9 p -89.55 122.78 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.7 p90 -128.88 177.31 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -140.71 157.74 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.453 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 3.6 t -121.6 135.85 60.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 m -117.59 99.72 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -106.09 117.66 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.9 m -73.23 132.9 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.499 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.6 157.56 19.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.499 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 146.87 87.85 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.013 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -72.0 -82.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 174.22 53.85 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.515 ' CD2' HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -92.51 97.9 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.58 47.37 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.2 p90 -134.29 136.08 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -103.14 169.96 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 34' ' ' LEU . 48.3 mt -112.06 160.53 17.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.18 164.29 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.39 -139.3 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.47 172.54 13.18 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -33.22 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -48.22 73.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.07 -3.74 52.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.53 16.17 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -114.12 164.3 16.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 127.9 10.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.31 102.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' GLN . 1.4 p -115.91 158.16 23.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 39' ' ' ILE . 16.9 mm -65.83 96.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -71.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.18 161.41 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 36' ' ' ILE . 88.4 mt -137.88 141.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 18.8 m -90.68 144.75 30.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.95 139.55 24.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 -44.17 2.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -48.51 173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.56 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.28 -25.16 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.12 16.25 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -138.25 11.26 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.0 p -120.67 -134.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.96 -5.26 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.453 ' HG ' ' CG2' ' A' ' 12' ' ' VAL . 4.5 mt -68.77 121.92 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.9 m -131.76 146.5 52.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -60.03 124.49 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 107.99 -27.22 15.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.461 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 80.3 m-20 -39.2 157.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -112.67 113.2 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -81.9 131.15 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.19 -48.14 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.68 153.56 50.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 HG22 ' CD2' ' A' ' 85' ' ' LEU . 77.2 mt -119.88 110.47 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 6.6 t0 68.07 12.29 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.16 18.68 10.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 88.7 t -125.4 112.06 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 -42.35 157.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' VAL . 24.8 p -114.57 -27.13 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.52 -27.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -91.38 -33.8 15.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.3 mtm -81.75 151.29 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.4 p -88.05 -166.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.03 -58.04 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 73' ' ' GLN . 9.4 tp -57.81 -62.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LEU . 4.4 mm-40 -36.66 -57.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.81 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-30 -58.12 -51.23 70.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -28.32 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.453 ' HG2' ' CG2' ' A' ' 59' ' ' ILE . 0.6 OUTLIER -64.08 -38.28 90.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.441 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 84.5 mt -56.05 -50.74 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -44.19 96.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -44.12 -53.82 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.22 145.29 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m -130.99 -55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.7 -56.66 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.97 155.87 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.515 HD21 ' CD2' ' A' ' 20' ' ' TRP . 32.6 tp -123.67 91.5 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.461 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 0.6 OUTLIER -83.88 145.23 28.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.477 ' CD2' HG22 ' A' ' 59' ' ' ILE . 11.9 mt -146.6 118.49 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 m -90.49 114.32 26.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -107.72 169.79 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -134.59 137.15 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -67.08 110.59 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.965 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -95.55 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -134.29 109.96 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.37 142.26 3.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -107.6 121.64 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -158.89 168.76 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.75 -47.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -171.17 111.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -89.29 125.37 35.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.2 p90 -135.57 177.7 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 p -137.47 162.48 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 t -127.0 134.28 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -106.55 101.13 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD12 ' CD2' ' A' ' 50' ' ' LEU . 66.6 mt -107.4 103.93 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 145.69 54.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -112.72 158.02 14.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 145.58 84.31 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 -0.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.493 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.03 -86.89 0.12 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.493 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.59 51.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.958 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.555 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.7 OUTLIER -91.38 97.69 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.88 53.33 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.48 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.4 p90 -142.21 134.12 27.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.71 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CD1' HD21 ' A' ' 34' ' ' LEU . 66.4 mt -112.75 158.16 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.02 169.61 11.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.06 -143.98 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 167.98 12.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.32 -30.83 12.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -45.73 63.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -85.06 7.5 21.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 54.46 20.64 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -118.53 163.32 26.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.406 ' HB2' ' CD2' ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.98 127.31 10.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.45 102.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 p -113.43 159.3 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 13.0 mm -68.01 89.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.1 t -41.12 -65.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.08 168.99 22.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.8 mt -141.31 146.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -82.58 141.94 45.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 121.19 6.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.7 -7.29 63.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -77.23 163.6 26.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -59.08 -33.58 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' A' ' 50' ' ' LEU . . . -65.35 -21.02 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.59 -13.95 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.95 24.82 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 36.9 p -116.6 -87.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.29 -37.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.45 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.1 pp -66.85 121.65 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 174.18 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.63 139.94 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.32 -30.93 7.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' GLY . 69.7 m-20 -39.65 157.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -110.82 114.26 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.6 t -83.87 130.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -49.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -137.43 149.44 46.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.546 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -117.31 110.72 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 67.76 17.84 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.73 21.35 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.459 ' CB ' ' HE2' ' A' ' 75' ' ' LYS . 94.0 t -126.42 110.83 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -41.5 160.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' VAL . 60.0 p -120.85 -37.07 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -43.94 -32.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 t -81.75 -37.53 27.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' THR . 43.7 mtm -82.53 153.7 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -85.9 -171.36 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.78 -58.06 8.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLU . 6.7 tp -55.07 -66.36 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 12.2 mm-40 -35.8 -56.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.18 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -55.87 -40.9 73.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -35.63 76.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.459 ' HE2' ' CB ' ' A' ' 62' ' ' VAL . 8.7 tptt -58.19 -35.24 71.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 59.1 mt -60.75 -48.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -46.87 78.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.24 -52.05 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.92 154.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -135.32 -91.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -56.0 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -135.63 158.94 43.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.555 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 15.7 tp -127.9 89.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -81.6 148.7 28.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.546 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 16.4 mt -148.7 122.44 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 m -92.76 117.63 30.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -108.72 171.16 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.54 132.64 35.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 104.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -146.48 129.39 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.54 143.29 50.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 93.51 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.24 -64.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.773 . . . . 0.0 109.965 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -116.86 -166.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.74 -44.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.15 117.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -91.04 122.29 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -137.41 177.63 7.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -141.8 158.93 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 11.2 t -121.84 138.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.2 m -115.41 95.62 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CD2' ' HB3' ' A' ' 44' ' ' LYS . 83.2 mt -100.91 103.12 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 2.4 m -64.84 142.47 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.508 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -106.48 154.79 16.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.508 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.04 147.47 89.3 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.61 -89.14 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.28 53.53 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.029 -0.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.511 ' CD2' HD21 ' A' ' 83' ' ' LEU . 0.9 OUTLIER -91.35 97.86 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.27 56.75 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' CE1' HD13 ' A' ' 76' ' ' ILE . 2.5 p90 -146.03 133.98 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -97.39 170.34 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.0 mt -112.81 154.93 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -123.54 172.76 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 35.17 -142.74 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.53 166.82 11.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -59.77 -26.61 65.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -43.65 97.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.24 3.81 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t30 69.64 15.31 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.2 mtp -104.54 157.26 34.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.08 12.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.39 103.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.463 ' CG2' HD13 ' A' ' 55' ' ' LEU . 4.6 p -118.06 163.81 16.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG21 ' CD1' ' A' ' 39' ' ' ILE . 10.2 mm -73.03 104.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -54.58 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.85 148.67 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.462 ' CD1' HG21 ' A' ' 36' ' ' ILE . 79.5 mt -122.93 139.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -83.12 136.19 43.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.86 -2.95 17.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -88.81 167.49 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -63.99 -41.38 97.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.24 61.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.87 13.1 21.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.75 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 4.6 p -135.53 -106.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -142.15 13.94 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' HG ' ' CG2' ' A' ' 12' ' ' VAL . 1.8 mt -91.48 123.05 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -130.61 146.68 52.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.48 122.44 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 108.69 -22.14 26.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 53' ' ' GLY . 69.3 m-20 -39.77 155.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.463 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.86 103.55 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.0 t -75.07 128.86 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -105.61 -53.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.35 143.15 43.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.533 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 97.8 mt -109.21 110.62 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 70.94 9.92 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 14.6 17.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.412 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 3.9 t -120.03 110.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.474 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.0 t-20 -42.83 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' VAL . 56.9 p -115.29 -0.93 13.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 13.8 t0 -74.9 -3.22 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 -1.89 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.429 ' SD ' ' CB ' ' A' ' 72' ' ' ALA . 5.5 ptp -117.51 142.46 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -77.14 -166.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.95 -57.4 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLN . 13.3 tp -59.04 -56.85 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.42 -54.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.429 ' CB ' ' SD ' ' A' ' 67' ' ' MET . . . -56.85 -47.34 80.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -54.49 -35.14 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -24.41 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HE2' ' CG1' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -69.17 -35.78 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 22' ' ' PHE . 80.1 mt -57.42 -51.79 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.76 -41.36 98.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -42.68 -53.9 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.88 161.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -138.83 -80.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -56.92 9.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.441 ' ND2' ' OG1' ' A' ' 15' ' ' THR . 3.5 m120 -138.96 169.76 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 20' ' ' TRP . 31.0 tp -124.39 88.74 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.55 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.533 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 11.9 mt -142.8 119.8 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.6 m -90.75 115.19 27.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -107.66 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.62 132.41 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 6.4 mmtt -73.55 111.81 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.96 113.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -101.92 168.19 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.68 88.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -148.26 133.87 18.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -96.7 160.12 14.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.98 -43.02 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtp -175.5 102.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -90.35 128.19 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.62 177.4 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 p -133.26 164.21 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG12 ' CD1' ' A' ' 50' ' ' LEU . 3.1 t -130.03 145.71 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -112.39 95.75 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 21.4 mt -88.97 81.44 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -51.09 131.45 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.05 -177.32 33.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.96 -175.52 16.17 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.998 -0.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.418 ' O ' ' O ' ' A' ' 17' ' ' PRO . . . -54.16 -166.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.002 0.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.574 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 54.2 m95 -112.18 98.9 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.41 54.33 2.38 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.574 ' CD2' ' HB3' ' A' ' 20' ' ' TRP . 1.6 p90 -158.07 131.58 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -108.31 168.48 9.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.402 ' CD2' HD21 ' A' ' 34' ' ' LEU . 45.9 mt -111.37 159.83 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -126.67 167.75 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.88 -133.09 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.71 169.9 13.08 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.19 -39.46 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.45 -42.08 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -82.85 4.9 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 55.93 33.05 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.8 mmm -136.04 163.46 50.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.24 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.029 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD21 ' CD2' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.22 102.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.3 p -115.05 158.03 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 16.5 mm -64.08 98.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.2 t -51.42 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 166.35 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.466 ' CD1' HG21 ' A' ' 36' ' ' ILE . 95.6 mt -143.07 139.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.0 m -83.84 140.67 40.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 114.71 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.86 -23.08 10.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -67.76 168.98 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -23.14 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.63 -15.23 59.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.09 10.94 25.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.76 14.26 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.2 -124.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -120.21 -7.11 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' CD1' HG12 ' A' ' 12' ' ' VAL . 6.5 mt -69.01 127.12 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -136.55 144.59 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 37' ' ' SER . 4.8 tt0 -57.84 124.92 20.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 110.26 -29.35 9.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 45.1 m-20 -39.18 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -112.29 115.38 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.06 130.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.23 -51.06 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -136.25 146.64 46.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.54 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 30.8 mt -111.88 110.5 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 70.33 10.08 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.89 15.46 14.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.409 HG11 ' CE ' ' A' ' 67' ' ' MET . 49.8 t -121.36 112.28 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -41.23 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 38.2 p -118.75 -34.16 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -28.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -90.96 -34.13 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' THR . 26.2 mtm -84.0 139.7 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.4 p -73.33 -175.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.13 -38.07 87.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.636 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.7 -62.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mt-10 -38.17 -45.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.14 88.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-30 -64.36 -51.3 64.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -52.65 -30.41 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.91 -38.29 90.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 ' CD1' ' CZ ' ' A' ' 22' ' ' PHE . 79.7 mt -55.46 -52.06 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -35.04 71.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -50.31 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.08 152.86 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -135.93 -74.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -56.19 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -138.85 144.62 39.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 2.7 tp -114.85 104.93 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -92.7 145.31 24.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.54 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 13.7 mt -145.95 121.68 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -91.02 118.41 30.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 1.4 mp -107.61 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.43 136.22 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -71.98 118.89 15.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.27 -58.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -100.34 125.71 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.74 -138.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t 61.91 77.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -163.6 175.36 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.63 -44.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -165.19 104.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -94.21 126.46 39.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.7 p90 -132.0 177.34 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.6 p -136.65 162.68 32.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' CG2' ' HB3' ' A' ' 50' ' ' LEU . 8.2 t -123.5 140.4 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -116.33 101.29 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 12.2 mt -102.33 99.44 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -62.06 130.48 45.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.25 152.38 21.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.01 142.28 74.27 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.972 0.045 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.77 -90.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.05 174.29 53.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 0.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -95.52 98.5 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 59.91 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.572 ' CE1' HD11 ' A' ' 76' ' ' ILE . 4.1 p90 -148.88 133.41 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -95.78 169.79 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.1 mt -109.23 153.5 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.03 171.73 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.12 -136.21 0.97 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.73 159.43 12.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -46.95 -37.62 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.65 -48.43 81.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -91.32 19.68 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 43.97 36.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -128.99 163.32 46.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.22 13.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.37 102.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.286 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.462 ' CG2' HD12 ' A' ' 55' ' ' LEU . 2.6 p -115.29 167.17 11.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 39' ' ' ILE . 4.3 mm -79.83 93.42 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -42.19 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.42 165.36 36.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.459 HD13 ' CD1' ' A' ' 50' ' ' LEU . 37.8 mt -135.69 148.1 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.458 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 10.3 m -82.74 144.89 49.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.458 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.0 113.29 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.99 -22.86 22.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.8 p -63.8 156.88 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -57.06 -29.52 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.405 ' CB ' HG22 ' A' ' 39' ' ' ILE . . . -62.89 -32.7 74.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.62 -3.8 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.73 31.31 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 56.6 p -126.4 -84.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 48' ' ' SER . 12.4 mt-30 -166.55 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 4.5 pp -66.49 121.78 16.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -118.17 174.52 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.25 143.9 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 89.62 -27.51 7.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLY . 6.5 m-20 -39.57 155.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.462 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.5 OUTLIER -110.76 107.02 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.0 130.92 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.15 -42.87 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -141.25 156.13 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 HG23 ' CD2' ' A' ' 85' ' ' LEU . 73.0 mt -126.47 110.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' SER . 7.3 t0 72.12 11.23 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.94 15.78 19.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.43 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 11.5 t -121.27 112.74 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 64' ' ' THR . 31.9 t-20 -48.47 148.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 22.8 p -105.3 9.78 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 66' ' ' THR . 12.3 t70 -81.4 58.27 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.443 ' CB ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 170.44 -32.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.1 ptp -77.51 135.53 38.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -75.0 174.04 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -50.47 -50.97 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.41 -60.96 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-10 -38.54 -43.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.23 -42.89 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.537 ' N ' ' O ' ' A' ' 70' ' ' LEU . 6.1 mt-30 -64.3 -49.23 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -56.95 -29.9 63.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.43 ' HE2' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER -62.11 -35.17 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.572 HD11 ' CE1' ' A' ' 22' ' ' PHE . 84.5 mt -58.93 -52.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -44.92 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.4 t -41.32 -53.88 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.4 155.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 m -132.39 -80.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -55.92 -56.84 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -139.35 162.91 33.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.8 tp -123.19 88.25 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -80.32 144.39 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.478 ' CD2' HG23 ' A' ' 59' ' ' ILE . 8.3 mt -143.97 135.22 25.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.4 m -104.89 115.15 29.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.521 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -107.72 171.96 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.76 142.95 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -71.33 116.4 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p -145.15 -58.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -157.75 95.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.72 63.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.56 87.69 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -91.61 164.81 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.03 -40.14 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.1 103.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -88.26 122.97 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.9 p90 -132.08 177.55 7.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -136.71 169.57 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.056 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.2 t -131.44 146.14 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -128.5 95.72 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mt -101.51 109.45 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -68.0 127.2 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.43 152.6 22.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 144.33 80.62 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.996 0.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.499 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.34 -86.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.499 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.37 53.06 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' CD2' HD21 ' A' ' 83' ' ' LEU . 0.8 OUTLIER -93.82 98.22 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 58.56 3.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE1' HD12 ' A' ' 76' ' ' ILE . 3.2 p90 -145.72 136.12 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -96.82 170.08 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.0 mt -114.35 156.84 23.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.54 170.5 11.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.74 -147.24 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.15 166.68 11.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.86 -30.85 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -45.82 82.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.63 -0.36 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.81 22.38 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.83 164.37 17.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 128.07 11.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.06 102.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 25' ' ' GLN . 1.3 p -116.39 164.37 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -73.47 105.95 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 168.69 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.428 HG23 ' CB ' ' A' ' 45' ' ' ALA . 96.5 mt -142.78 138.81 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.35 138.17 28.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.03 -21.76 32.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -69.43 178.66 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.428 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -63.69 -23.71 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.42 15.89 18.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -138.77 11.88 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -122.28 -138.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -118.99 20.66 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 HD23 ' CD2' ' A' ' 87' ' ' LEU . 3.8 mt -91.13 122.11 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -128.93 142.69 50.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.63 121.88 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.99 -27.39 10.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 53' ' ' GLY . 63.8 m-20 -39.19 156.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.63 112.7 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 31.6 t -80.42 130.1 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.26 -44.48 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -140.65 155.67 46.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 HG23 ' CD2' ' A' ' 85' ' ' LEU . 57.8 mt -127.13 110.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 t0 71.06 11.22 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.3 16.23 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.421 ' CG1' ' HE2' ' A' ' 75' ' ' LYS . 15.6 t -122.48 113.08 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.6 t-20 -43.18 162.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.475 ' N ' ' O ' ' A' ' 57' ' ' VAL . 73.1 p -121.97 12.93 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 6.5 t70 -90.16 15.98 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -147.47 19.46 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.461 ' CE ' ' O ' ' A' ' 63' ' ' ASN . 19.4 ptp -131.92 138.16 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -77.38 159.96 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -40.03 -57.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLU . 13.2 tp -56.73 -58.67 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mm-40 -37.18 -56.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.43 ' CB ' ' SD ' ' A' ' 67' ' ' MET . . . -54.54 -51.04 66.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -50.18 -38.05 37.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -32.26 73.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.437 ' HB3' ' CG2' ' A' ' 59' ' ' ILE . 2.9 tptt -60.01 -30.19 68.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.552 HD12 ' CE1' ' A' ' 22' ' ' PHE . 66.2 mt -64.89 -51.18 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -65.65 -42.91 90.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -45.14 -51.52 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.46 155.2 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -131.93 -89.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.89 -56.74 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.45 159.06 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.455 HD21 ' CD2' ' A' ' 20' ' ' TRP . 20.7 tp -121.73 93.25 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -82.81 144.03 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.47 ' CD2' HG23 ' A' ' 59' ' ' ILE . 14.2 mt -147.65 119.58 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -90.83 118.56 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -108.83 171.08 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.8 130.56 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -65.66 112.11 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -166.4 155.84 11.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -157.6 141.77 16.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.69 -102.77 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.72 159.66 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 59.13 156.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.54 -45.13 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.65 108.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -96.41 128.64 43.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.0 p90 -133.85 177.02 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.9 p -135.52 163.82 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.459 ' CG1' HD22 ' A' ' 50' ' ' LEU . 3.4 t -128.1 134.88 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 m -104.45 110.48 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 50' ' ' LEU . 34.7 mt -109.51 94.68 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -67.51 126.08 28.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.02 156.08 25.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.06 137.45 50.4 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.987 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.2 -92.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.03 174.47 52.55 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.577 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.2 m95 -90.96 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.26 50.84 4.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.531 ' CE1' HD13 ' A' ' 76' ' ' ILE . 2.7 p90 -144.57 131.01 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 2.3 mtm180 -96.57 168.94 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.42 HD21 ' CD2' ' A' ' 34' ' ' LEU . 63.2 mt -111.65 158.83 18.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -130.02 172.02 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.55 -145.63 0.12 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.2 176.78 14.58 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -58.09 -31.91 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.62 -45.02 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -88.61 17.89 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 41.07 32.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 mmm -128.89 162.85 49.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 ' CD2' HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.78 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.456 ' CG2' HD12 ' A' ' 55' ' ' LEU . 4.2 p -113.41 158.0 21.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mm -68.13 98.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 10.9 t -48.04 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.08 172.22 13.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 69.6 mt -142.39 140.94 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 4.3 m -85.24 140.86 36.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.96 116.72 4.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.61 -36.09 4.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.1 p -54.3 162.09 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -24.15 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' HB3' ' CD1' ' A' ' 50' ' ' LEU . . . -68.19 -31.46 71.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.61 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -137.31 11.01 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -113.27 -132.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.24 4.08 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 HD22 ' CG1' ' A' ' 12' ' ' VAL . 2.7 pp -90.55 124.41 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -123.36 174.02 7.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.96 132.59 40.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.78 -25.32 27.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -40.17 155.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.456 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.63 104.15 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.75 132.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.85 131.47 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 30.8 mt -89.48 108.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.9 t0 68.9 7.22 6.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.85 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.5 p -120.5 103.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.6 t-20 -39.75 146.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 50.9 p -117.54 -8.86 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 3.0 m-20 -58.99 -24.27 62.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 t -101.15 -20.3 15.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.468 ' CE ' HG11 ' A' ' 62' ' ' VAL . 1.2 mtm -88.9 140.31 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.8 p -82.59 164.3 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.17 -56.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.603 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.5 tp -56.29 -59.32 5.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.71 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.81 -52.71 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -52.13 -45.44 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.87 -32.87 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 8.6 tptt -60.68 -51.87 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.531 HD13 ' CE1' ' A' ' 22' ' ' PHE . 32.6 mt -41.67 -48.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -48.55 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -39.21 -49.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.85 150.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.26 -57.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -55.09 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.15 138.07 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 19.6 tp -104.26 90.11 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.5 m -86.28 145.1 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.491 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 6.4 mt -142.71 128.02 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.9 m -97.52 114.3 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -106.2 171.44 7.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.16 141.33 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -68.4 125.22 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -143.1 164.17 30.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -153.56 169.87 22.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.22 150.4 6.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -124.69 87.83 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -168.86 -176.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -44.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -169.48 115.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -89.05 128.15 35.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -141.62 177.95 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -141.8 165.37 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 t -129.91 138.07 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -109.37 97.73 7.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 99.0 mt -102.62 97.05 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.0 m -68.05 139.05 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.487 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.11 160.06 16.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 135.95 42.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.01 -0.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -57.66 -89.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.4 52.87 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.517 ' CD1' HG22 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -91.81 97.91 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.87 54.67 3.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.446 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 6.2 p90 -143.09 133.59 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.19 169.68 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.4 mt -122.06 161.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -131.21 172.77 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.99 -136.38 10.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 168.89 19.51 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 -33.98 40.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.69 -47.08 85.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -92.71 24.61 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 42.01 32.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -127.23 163.11 44.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.31 15.28 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.44 102.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 55' ' ' LEU . 1.7 p -116.69 166.04 12.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.1 mm -77.99 116.38 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 11.3 t -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 163.7 29.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.4 HG21 ' CB ' ' A' ' 45' ' ' ALA . 94.0 mt -142.82 135.25 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.476 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 6.3 m -84.42 145.47 45.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.0 137.63 21.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.34 -28.32 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.5 p -62.34 164.48 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.28 -27.97 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.4 ' CB ' HG21 ' A' ' 39' ' ' ILE . . . -70.51 -19.12 62.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.66 16.79 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -135.59 9.72 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.1 p -121.2 -134.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 -3.76 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 4.1 mt -68.78 122.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -131.04 156.78 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.9 tt0 -70.12 117.76 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.17 -21.89 16.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -40.22 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -113.81 102.58 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.5 131.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.1 -62.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -131.49 132.8 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.537 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 44.4 mt -91.15 108.3 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.4 t0 69.12 6.94 5.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.84 20.16 6.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.7 p -120.52 104.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' VAL . 25.5 t-20 -40.33 146.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' MET . 43.3 p -113.58 -20.28 11.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.35 -30.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -93.45 -30.85 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.468 ' CE ' HG12 ' A' ' 62' ' ' VAL . 1.4 mtm -81.89 122.27 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.6 p -66.78 -174.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -59.0 -49.53 77.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.9 tp -65.82 -57.31 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -43.09 -53.64 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.04 -28.92 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -23.74 59.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' CG ' HG21 ' A' ' 59' ' ' ILE . 15.4 tptt -71.61 -29.02 64.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.517 HG22 ' CD1' ' A' ' 20' ' ' TRP . 68.8 mt -65.9 -48.1 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -45.07 91.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -43.66 -48.09 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.2 147.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -127.57 -71.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.3 -53.0 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.443 ' OD1' ' N ' ' A' ' 82' ' ' ASN . 0.6 OUTLIER -137.48 173.32 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 76' ' ' ILE . 10.1 tp -141.31 94.24 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.4 m -87.78 145.9 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.537 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 6.3 mt -141.91 130.03 22.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.7 m -100.99 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -107.03 171.59 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.35 135.16 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 9.2 mmtt -74.48 116.24 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -46.73 117.7 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -58.75 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.22 167.73 5.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.4 152.9 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.42 -171.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.64 -47.6 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -175.92 110.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 p -86.15 132.8 33.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 p90 -144.05 177.72 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -141.28 165.0 28.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' HD21 ' A' ' 50' ' ' LEU . 11.3 t -127.67 146.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -118.23 97.77 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -100.87 108.45 20.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -74.69 134.34 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -98.22 153.88 20.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.99 150.61 95.73 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 -0.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -73.01 -89.49 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.38 53.0 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.492 ' CD1' HG23 ' A' ' 76' ' ' ILE . 1.3 m95 -91.9 97.78 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.7 53.05 4.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.556 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.1 p90 -142.81 138.46 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.05 169.7 8.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.6 mt -115.16 154.75 28.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -122.83 170.49 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.08 -140.6 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.82 167.66 12.41 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -50.6 -43.96 56.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -84.83 9.16 14.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 49.93 25.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mmm -126.11 163.7 38.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.35 11.38 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -59.44 102.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 25' ' ' GLN . 3.3 p -112.81 158.53 20.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 HG23 ' CD1' ' A' ' 39' ' ' ILE . 9.7 mm -68.87 92.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -41.77 -66.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 158.16 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.47 ' CD1' HG23 ' A' ' 36' ' ' ILE . 24.2 mt -133.28 146.7 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.419 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -82.8 145.23 49.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.419 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.94 127.07 10.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.7 -19.46 54.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.5 p -63.57 161.21 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -60.08 -47.26 86.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -52.2 -35.53 49.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -93.23 18.79 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.9 mt-30 -139.74 12.3 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -112.15 -74.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 48' ' ' SER . 5.1 mt-30 -172.93 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.49 HD21 ' CG1' ' A' ' 12' ' ' VAL . 0.7 OUTLIER -63.58 124.69 22.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.4 m -124.77 174.34 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -73.48 125.87 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.05 -28.89 9.31 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 53' ' ' GLY . 89.4 m-20 -39.75 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.7 OUTLIER -109.13 104.04 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.6 t -77.07 131.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -57.38 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 147.91 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.562 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 83.9 mt -116.99 110.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 68.15 21.36 8.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 24.48 20.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.0 t -130.29 110.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 9.7 t-20 -47.19 157.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' VAL . 69.2 p -118.57 -8.71 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 10.6 t0 -62.22 -17.69 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 12.0 mtm -88.57 142.3 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -79.1 173.55 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -51.73 -57.2 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.8 tp -53.15 -59.86 4.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -38.65 -63.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.35 -50.88 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -58.09 -44.22 87.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -32.32 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.465 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -60.41 -42.06 95.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.556 HD13 ' CE1' ' A' ' 22' ' ' PHE . 70.8 mt -52.14 -47.65 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -68.5 -53.12 25.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -50.48 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -131.19 -88.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -56.89 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.55 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.458 HD21 ' CD2' ' A' ' 20' ' ' TRP . 30.2 tp -134.68 89.61 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -80.05 147.42 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.562 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 17.1 mt -147.27 124.77 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 32.7 m -96.76 114.88 26.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -105.43 171.42 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.31 130.74 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.89 103.72 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -172.98 136.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 158.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -123.19 0.3 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.82 89.53 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.777 . . . . 0.0 109.975 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -141.54 154.98 45.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.61 -38.34 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.414 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.5 OUTLIER 177.08 101.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -87.86 128.55 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.66 177.33 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -136.7 163.16 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -127.54 149.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -130.15 95.52 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 20.9 mt -100.23 102.12 13.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.8 m -63.25 140.51 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -102.81 152.92 18.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.03 144.7 81.75 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.969 0.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.51 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.58 -90.02 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.566 1.167 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.51 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.33 53.27 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.976 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.497 ' CE3' HD23 ' A' ' 83' ' ' LEU . 1.1 m95 -93.94 98.51 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.65 56.55 3.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p90 -149.78 134.25 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -99.69 168.21 10.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 HD21 ' CD2' ' A' ' 34' ' ' LEU . 64.4 mt -111.1 159.48 17.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -127.14 172.83 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -147.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.6 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -34.41 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.08 -45.13 67.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -82.11 4.86 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.86 23.28 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -123.98 163.3 36.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' CD2' ' HB2' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -59.8 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 ' CG2' HD13 ' A' ' 55' ' ' LEU . 6.3 p -114.41 161.71 17.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.469 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 12.5 mm -70.96 98.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 15.6 t -49.93 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.66 164.73 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.42 HG22 ' CB ' ' A' ' 45' ' ' ALA . 97.4 mt -140.54 138.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' O ' ' OG ' ' A' ' 43' ' ' SER . 27.5 m -88.22 139.66 30.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 133.5 16.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -15.78 61.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 40' ' ' THR . 84.7 p -77.54 163.12 26.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -24.55 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.42 ' CB ' HG22 ' A' ' 39' ' ' ILE . . . -73.86 -25.66 60.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.26 18.28 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -140.18 12.79 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -122.43 -139.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -118.4 24.78 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.473 HD23 ' CD2' ' A' ' 87' ' ' LEU . 4.5 mt -98.78 125.0 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m -136.79 152.76 50.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.76 124.0 19.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.6 -26.92 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 85.5 m-20 -41.56 155.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.774 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -112.21 104.07 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.7 t -76.31 132.8 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.3 -65.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -123.7 145.87 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.465 HG23 ' CD2' ' A' ' 85' ' ' LEU . 96.5 mt -110.27 110.63 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.5 t0 64.85 17.44 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.54 19.46 15.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.13 108.45 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -47.67 150.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.47 ' N ' ' O ' ' A' ' 57' ' ' VAL . 41.8 p -114.43 -16.79 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -23.45 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -98.73 -19.82 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 15.6 mtm -96.85 147.12 24.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.0 p -73.16 -178.46 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.58 -55.34 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.57 ' CD2' ' C ' ' A' ' 70' ' ' LEU . 0.0 OUTLIER -55.8 -57.94 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.542 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 3.7 mm-40 -36.99 -59.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.446 ' HB2' ' CD2' ' A' ' 34' ' ' LEU . . . -51.41 -43.33 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 70' ' ' LEU . 3.4 mt-30 -64.29 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.507 ' ND2' ' CD2' ' A' ' 70' ' ' LEU . 5.8 m-20 -46.69 -33.05 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -39.66 82.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' GLN . 77.3 mt -55.1 -48.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.04 -43.9 94.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -44.8 -46.9 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 152.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -91.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.044 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -56.07 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.3 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.497 HD23 ' CE3' ' A' ' 20' ' ' TRP . 4.8 tp -136.12 109.69 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -99.06 140.95 32.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.976 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.4 mt -143.78 119.9 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.4 m -92.3 119.99 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.372 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -109.28 171.79 7.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.95 131.27 25.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 8' ' ' MET . 43.5 mmtt -67.58 120.74 14.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -107.67 113.77 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.05 150.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.84 93.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.21 114.48 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -116.37 -171.43 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.46 -44.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.48 111.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 p -90.46 126.25 35.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 p90 -135.96 177.68 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -143.24 154.35 43.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.406 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 4.5 t -115.33 137.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -116.0 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' ' HB3' ' A' ' 48' ' ' SER . 14.9 mt -105.9 117.84 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 22.3 m -75.16 133.49 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -97.41 151.72 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 147.53 89.51 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.039 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.75 -85.67 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.03 174.28 53.5 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.957 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -92.57 97.75 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.45 55.66 4.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p90 -144.87 137.83 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -104.73 168.79 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 HD12 ' CG ' ' A' ' 73' ' ' GLN . 16.7 mt -110.41 163.96 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -131.6 167.9 18.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -138.8 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ASN . . . 122.95 172.4 13.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -35.94 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -46.94 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.2 2.24 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLY . 41.3 m-20 59.54 20.13 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.07 164.52 18.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 128.06 11.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -62.38 102.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.3 p -114.34 157.26 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 12.5 mm -66.04 98.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.9 t -50.12 -72.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 168.97 18.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 68.2 mt -142.13 136.69 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 13.8 m -85.06 144.92 42.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.97 129.54 12.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.42 -37.65 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -52.06 166.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -23.86 67.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -68.5 -31.59 70.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 21.54 10.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.04 12.06 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.457 ' HB3' ' CD2' ' A' ' 14' ' ' LEU . 84.9 p -119.52 -134.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.64 4.54 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 pp -89.19 122.79 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 m -121.92 174.0 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 37' ' ' SER . 7.9 tt0 -75.37 136.28 40.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.25 -27.68 18.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 53' ' ' GLY . 61.7 m-20 -39.82 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.07 112.06 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 37.0 t -81.59 131.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -63.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -128.9 133.07 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.573 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 59.8 mt -94.97 108.41 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.451 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 27.9 t0 67.55 7.77 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.56 21.22 6.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.4 p -123.92 107.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -41.03 152.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.451 HG22 ' CD1' ' A' ' 59' ' ' ILE . 68.7 p -118.26 -37.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.75 -36.05 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.04 -36.33 30.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 mtm -78.84 154.62 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 79.1 p -84.44 172.48 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -55.04 -54.37 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.7 tp -56.42 -56.08 25.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 14.6 mm-40 -40.48 -64.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.3 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 4.3 mt-30 -49.93 -45.78 51.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -30.17 69.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -36.53 83.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 79.8 mt -58.16 -50.98 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -65.32 -48.56 72.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -40.43 -55.08 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.04 152.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m -127.91 -86.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -56.76 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.445 ' ND2' ' OG1' ' A' ' 15' ' ' THR . 4.1 m120 -140.41 169.69 17.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.2 tp -126.91 91.42 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.451 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.7 m -82.65 142.78 31.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.573 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 11.1 mt -144.65 118.5 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.8 m -89.71 116.76 28.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.433 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.497 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -108.29 171.12 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.62 140.33 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 109.14 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 86.31 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.72 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.94 160.07 12.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.12 77.21 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -107.68 160.86 15.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.59 -44.26 0.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -170.2 102.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -89.93 128.4 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.2 p90 -135.49 177.5 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.7 p -137.46 162.05 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.402 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 4.8 t -122.58 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.2 m -117.58 96.22 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' CD1' ' CD1' ' A' ' 50' ' ' LEU . 27.6 mt -100.8 98.72 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 m -68.11 135.84 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.93 153.46 19.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -74.98 143.86 79.16 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.975 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -65.41 -88.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.97 174.31 53.34 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.515 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.1 m95 -91.25 97.68 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 46.85 3.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 76' ' ' ILE . 2.7 p90 -136.97 149.09 47.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -115.19 169.89 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.0 mt -114.43 164.12 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -130.09 170.56 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.35 -140.59 0.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.56 12.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -35.63 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.73 -46.6 78.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -86.85 14.69 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 46.18 34.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.97 163.54 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 128.44 11.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.97 102.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.1 p -115.17 157.24 23.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.476 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 17.6 mm -64.17 104.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.3 t -58.15 -75.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 167.41 20.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.472 ' CD1' HG21 ' A' ' 36' ' ' ILE . 79.1 mt -143.93 133.24 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.3 m -84.08 143.91 43.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 135.54 19.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.36 -29.62 8.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 p -56.89 170.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -27.61 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.18 -22.7 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.78 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.56 10.17 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 49' ' ' GLN . 51.7 p -119.32 -135.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 48' ' ' SER . 11.9 mt-30 -113.35 -2.8 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' CD1' ' A' ' 14' ' ' LEU . 15.3 mt -69.48 122.2 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -133.5 150.57 51.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.5 tt0 -63.58 121.94 15.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.62 -29.18 8.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.476 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 62.2 m-20 -38.83 155.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -110.87 114.86 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.67 131.17 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.98 -63.62 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.25 133.28 46.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.572 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 44.8 mt -92.44 108.16 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 14.8 t0 68.24 7.32 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.67 21.53 6.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.51 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.1 p -122.85 106.63 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.8 t-20 -39.49 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.46 HG21 ' CD1' ' A' ' 59' ' ' ILE . 63.0 p -114.99 -32.8 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -36.38 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -81.06 -32.26 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.476 ' CE ' HG13 ' A' ' 62' ' ' VAL . 3.5 mtm -81.41 154.88 26.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -85.11 -179.85 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -61.13 -52.14 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.47 -58.08 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -38.59 -59.33 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.23 61.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -61.15 -37.34 82.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.466 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.5 OUTLIER -61.55 -43.13 99.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.566 HD13 ' CE1' ' A' ' 22' ' ' PHE . 78.7 mt -51.7 -50.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -44.77 89.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -46.18 -46.74 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.75 148.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t -137.18 -50.12 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.77 -55.06 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -139.16 147.19 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.515 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 22.6 tp -116.25 85.99 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.1 m -82.22 146.05 29.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.572 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 10.4 mt -144.73 119.74 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.1 m -89.79 118.49 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.394 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -108.38 172.11 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.04 133.36 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -68.28 122.5 18.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m 62.31 106.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 144.12 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.29 100.37 1.07 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -119.75 126.27 50.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -47.78 163.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.66 -41.6 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttp 179.25 105.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -88.35 123.49 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.6 p90 -132.91 177.7 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -137.57 169.73 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' HD22 ' A' ' 50' ' ' LEU . 39.4 t -130.31 151.13 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -127.3 101.5 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.476 HD11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 mt -107.27 102.98 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -68.37 131.0 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.515 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.34 150.52 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.03 146.4 86.53 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.006 0.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.98 -89.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.01 174.14 54.25 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.978 0.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.513 ' CD1' HG22 ' A' ' 76' ' ' ILE . 1.4 m95 -90.7 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.99 50.82 3.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE1' HD11 ' A' ' 76' ' ' ILE . 3.4 p90 -144.22 130.27 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.21 170.24 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD11 ' CG ' ' A' ' 73' ' ' GLN . 37.3 mt -112.25 160.27 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -128.94 171.75 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.22 -141.08 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.58 163.25 11.7 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.08 -34.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.99 -46.46 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -89.73 20.46 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 41.03 35.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.2 mmm -132.27 163.1 52.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.467 ' CG2' HD13 ' A' ' 55' ' ' LEU . 4.1 p -113.59 159.46 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' CG2' HD11 ' A' ' 39' ' ' ILE . 8.5 mm -71.3 101.27 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.0 t -50.17 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' HD2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -142.68 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 50' ' ' LEU . 73.1 mt -138.68 139.4 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -87.76 132.97 38.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.66 -22.67 5.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 p -74.96 169.36 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.52 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . . . -64.48 -20.45 66.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.51 16.87 23.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -136.08 10.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 90.6 p -111.56 -130.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -133.83 14.33 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.476 ' CD2' HD11 ' A' ' 14' ' ' LEU . 3.9 pp -96.02 121.77 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -121.12 167.81 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' SER . 8.0 tt0 -69.58 136.68 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 98.63 -24.8 30.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 53' ' ' GLY . 70.0 m-20 -40.0 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.55 103.49 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -75.83 133.0 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.7 -62.56 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HB3' ' N ' ' A' ' 63' ' ' ASN . . . -128.94 130.99 47.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.538 ' CG2' ' CD2' ' A' ' 85' ' ' LEU . 20.5 mt -89.27 108.59 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 68.58 7.75 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.48 21.98 6.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.52 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.9 p -121.76 103.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.411 ' N ' ' HB3' ' A' ' 58' ' ' ALA . 26.5 t-20 -40.31 145.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.9 p -115.73 -13.75 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -55.13 -22.91 18.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -102.49 -21.99 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.473 ' CE ' HG12 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -87.12 142.76 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 62.8 p -81.63 167.19 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -47.28 -53.15 14.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.6 tp -60.55 -57.37 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 4.2 mm-40 -38.22 -61.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.22 -55.06 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' CG ' HD11 ' A' ' 24' ' ' LEU . 1.6 mt-30 -48.74 -43.32 37.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -26.02 53.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -70.64 -54.0 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.552 HD11 ' CE1' ' A' ' 22' ' ' PHE . 65.4 mt -40.48 -49.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.25 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -48.69 -52.12 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.5 157.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.6 -88.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -56.19 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -143.06 151.65 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 20.6 tp -114.35 87.86 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.9 m -81.39 144.04 31.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.538 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 9.9 mt -143.97 131.52 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 60.8 m -101.49 114.79 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -106.9 172.35 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.03 137.82 31.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 111.55 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.02 121.46 42.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -94.35 -57.94 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.53 117.47 4.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -174.22 -58.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 p -152.01 177.13 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.57 -45.23 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -177.91 112.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 p -89.11 123.17 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.85 177.58 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 p -144.21 156.11 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.9 t -115.43 147.93 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.0 m -127.12 96.58 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.1 mt -101.1 150.79 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.4 m -106.83 141.33 38.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -105.47 151.19 17.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.5 Cg_endo -74.98 143.22 77.13 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.029 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.05 -89.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.5 Cg_endo -74.97 174.28 53.46 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.037 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.3 m95 -90.14 97.51 11.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.15 51.93 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.7 p90 -145.16 131.13 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 18.3 mmt180 -101.38 160.08 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 52.5 mt -99.97 150.81 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -120.52 164.43 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.14 -144.95 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' MET . . . 138.48 -179.46 18.39 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -61.92 -35.43 78.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.77 3.76 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.93 19.72 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLY . 68.1 mtp -114.14 158.39 39.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.18 12.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.66 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' GLN . 5.2 p -113.74 158.62 20.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 14.5 mm -68.97 97.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 28.8 t -46.0 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 166.58 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.421 ' CG2' ' HB3' ' A' ' 45' ' ' ALA . 63.6 mt -138.93 139.54 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 m -84.92 137.5 37.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.89 -24.11 8.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.7 p -72.59 161.19 31.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -35.72 60.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 50' ' ' LEU . . . -60.22 -26.46 66.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 17.07 22.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -136.69 11.09 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -112.83 -129.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -130.89 6.39 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' CD1' ' HB1' ' A' ' 45' ' ' ALA . 3.6 pp -93.55 121.79 35.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -120.59 173.17 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.04 136.55 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.44 -25.07 29.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.435 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 88.7 m-20 -40.12 156.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.6 OUTLIER -111.44 103.2 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -75.08 132.41 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.22 -63.78 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -126.34 140.6 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 49.0 mt -97.71 107.39 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 2.4 t70 69.16 4.15 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.59 8.3 9.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 9.4 p -112.01 108.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 13.5 t-20 -44.77 151.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' VAL . 57.5 p -114.11 -21.69 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 23.2 t0 -53.55 -21.67 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -96.89 -22.4 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.445 ' CE ' HG12 ' A' ' 62' ' ' VAL . 1.7 mtm -94.89 153.0 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -85.53 172.7 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -52.12 -52.29 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 10.6 tp -59.02 -57.87 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -39.11 -61.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.12 -49.22 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -54.29 -53.54 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -34.64 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.83 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.575 HD13 ' CE1' ' A' ' 22' ' ' PHE . 82.0 mt -52.58 -50.03 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -64.25 -48.52 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 t -40.74 -51.79 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.41 159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -139.86 -70.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -56.35 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.32 164.75 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.421 ' CD2' HG22 ' A' ' 76' ' ' ILE . 17.8 tp -132.48 87.62 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 m -81.28 143.09 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.452 ' CD2' HG22 ' A' ' 59' ' ' ILE . 5.9 mt -142.11 122.45 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.5 m -92.52 116.94 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.436 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -107.47 172.41 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.64 129.23 22.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -67.5 117.04 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.94 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 66.65 113.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.057 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.83 142.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.35 133.25 1.45 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -128.49 153.53 47.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 69.11 176.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.97 -43.67 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.8 OUTLIER -175.81 108.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.0 p -92.02 117.48 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 8.5 p90 -128.61 177.3 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -136.21 160.94 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.1 t -126.27 133.95 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.8 m -110.87 109.49 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -114.22 108.85 17.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.6 m -71.41 128.07 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -93.97 155.07 21.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.1 Cg_endo -75.01 145.66 84.52 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.002 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.18 -85.29 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -74.93 174.05 54.63 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.009 -0.065 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.426 ' CD1' HG21 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -91.53 97.63 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.5 54.66 4.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.561 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.9 p90 -141.85 133.95 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -100.22 165.67 11.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 31.9 mt -110.5 163.99 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -129.63 172.94 11.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -140.96 0.33 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.8 176.6 14.52 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -61.76 -39.56 92.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -43.71 94.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -84.61 6.6 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 52.0 34.93 14.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -134.0 163.38 51.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' VAL . 0.3 OUTLIER -60.71 102.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 25' ' ' GLN . 1.3 p -115.87 158.72 22.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 39' ' ' ILE . 19.3 mm -65.7 109.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -64.59 -69.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.52 163.9 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 36' ' ' ILE . 96.5 mt -140.48 142.42 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 3.2 m -84.08 143.19 42.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 120.49 6.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.4 -13.19 54.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -70.96 158.66 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -23.17 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.25 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.86 7.01 43.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -132.53 28.07 4.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -133.07 -104.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -145.14 15.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.407 ' CD2' HD23 ' A' ' 87' ' ' LEU . 6.3 mt -94.67 121.83 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -127.95 156.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.27 110.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 124.07 -28.57 5.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.442 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 96.7 m-20 -38.62 156.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -110.47 112.67 24.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.5 t -82.14 129.39 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.02 -65.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.92 136.51 54.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 81.8 mt -101.18 107.66 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 23.0 t70 67.24 6.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.63 16.4 7.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.4 p -121.61 111.95 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -48.35 153.52 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.459 ' CG2' HG13 ' A' ' 59' ' ' ILE . 70.8 p -115.17 -14.32 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -20.77 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -111.33 18.54 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 48.9 mtm -130.57 136.11 48.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 p -73.84 163.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -44.56 -50.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 tp -59.65 -59.93 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -38.84 -56.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.28 -47.88 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.06 -45.49 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -33.82 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.12 -38.85 80.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.561 HD13 ' CE1' ' A' ' 22' ' ' PHE . 68.5 mt -57.94 -50.19 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -47.88 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.21 -56.22 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.23 161.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 -87.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.5 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -137.02 148.24 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.401 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 14.5 tp -119.48 93.98 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.1 m -86.83 145.34 26.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.516 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 8.0 mt -144.12 123.28 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 46.0 m -92.18 119.47 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -108.07 171.95 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.63 142.18 32.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -88.84 118.6 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.025 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -62.09 -58.4 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -59.81 167.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.52 97.34 0.17 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -77.07 79.86 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -155.86 167.5 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.56 -45.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp -169.0 100.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -92.42 127.77 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.6 p90 -133.45 177.42 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 p -136.35 164.17 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.449 ' CG2' ' HB3' ' A' ' 50' ' ' LEU . 3.5 t -129.04 136.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.2 m -111.0 99.69 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' O ' ' CZ3' ' A' ' 20' ' ' TRP . 47.6 mt -102.4 99.43 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -63.9 140.53 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.503 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.47 154.7 17.5 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.503 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.97 143.83 79.06 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.008 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.499 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.77 -89.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.499 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.31 53.38 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.006 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.4 m95 -90.73 97.53 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.99 45.79 3.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.9 p90 -139.79 137.23 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -103.36 170.0 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' CD1' HD22 ' A' ' 34' ' ' LEU . 85.8 mt -108.76 152.43 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.8 OUTLIER -120.31 165.82 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.18 -147.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.07 174.56 13.41 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.98 74.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -39.61 78.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -99.61 -1.01 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 72.94 13.55 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.2 mtp -104.94 158.82 31.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.51 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.435 HD22 ' CD1' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.45 102.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.464 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.0 p -115.18 161.74 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.46 HG21 ' CD1' ' A' ' 39' ' ' ILE . 13.7 mm -69.31 97.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.407 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 2.7 t -46.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.33 166.42 27.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.46 ' CD1' HG21 ' A' ' 36' ' ' ILE . 67.3 mt -139.89 139.42 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.9 m -82.54 143.86 48.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 119.75 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.07 -17.74 37.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -70.15 163.7 25.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -63.46 -31.32 72.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.435 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -64.0 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.48 -14.34 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -123.79 29.6 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 28.9 p -120.54 -85.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.72 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 12' ' ' VAL . 3.6 pp -67.12 127.73 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -124.47 174.03 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.65 138.44 50.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.79 -31.0 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 53' ' ' GLY . 76.3 m-20 -39.33 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.76 113.67 26.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 t -83.1 131.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.8 -60.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.05 136.47 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.531 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 18.1 mt -96.83 107.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.1 t0 67.65 6.17 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.51 15.14 7.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.531 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.2 p -120.09 108.8 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.67 151.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 28.3 p -118.59 -35.22 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -44.56 -30.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -86.93 -35.26 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.468 ' CE ' HG13 ' A' ' 62' ' ' VAL . 3.6 mtm -78.28 147.83 34.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.413 ' N ' ' HB2' ' A' ' 71' ' ' GLU . 68.8 p -77.33 160.87 28.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -42.0 -51.95 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 73' ' ' GLN . 12.0 tp -61.47 -56.36 21.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.413 ' HB2' ' N ' ' A' ' 68' ' ' THR . 3.1 mm-40 -38.96 -55.16 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.16 -46.2 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 70' ' ' LEU . 2.3 mt-30 -57.06 -39.56 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.468 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.2 OUTLIER -63.65 -35.92 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.94 -53.34 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.45 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -49.64 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.04 148.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 -50.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.06 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -56.81 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -141.54 140.93 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 35.2 tp -99.27 86.29 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ASP . 2.2 m -85.05 141.31 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 59' ' ' ILE . 6.1 mt -143.1 134.55 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -104.15 116.2 31.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.6 OUTLIER -106.78 171.71 7.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.71 141.05 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -70.88 116.12 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.944 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.6 114.4 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 0.802 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -58.32 -53.41 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.93 -148.45 18.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -163.39 -64.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -87.05 167.4 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.85 -45.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.71 113.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.751 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -89.65 124.7 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 6.3 p90 -133.55 177.56 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -140.73 160.95 38.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 50' ' ' LEU . 4.2 t -125.91 136.81 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -103.45 96.7 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 36.7 mt -95.63 84.76 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.8 m -61.58 132.58 53.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -96.75 156.45 21.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.05 146.25 86.1 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.983 0.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.55 -93.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.93 174.43 52.67 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.004 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.464 ' CD1' HG21 ' A' ' 76' ' ' ILE . 2.0 m95 -92.92 97.97 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.89 37.22 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.492 ' CZ ' HD12 ' A' ' 76' ' ' ILE . 4.3 p90 -128.74 138.28 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -103.35 169.39 8.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' CD1' HD23 ' A' ' 34' ' ' LEU . 72.1 mt -113.12 159.52 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -124.55 169.58 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -142.71 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.73 166.46 12.29 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -49.13 -37.07 20.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -85.9 9.14 17.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.84 21.13 3.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -117.2 163.2 24.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 128.18 11.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD23 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.15 102.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.9 p -115.61 158.21 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.461 HG21 ' CD1' ' A' ' 39' ' ' ILE . 15.9 mm -65.22 104.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 12.9 t -58.52 -74.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 166.58 22.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 36' ' ' ILE . 79.9 mt -144.05 135.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -83.03 136.88 43.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.02 12.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.25 -14.05 66.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -78.39 173.98 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -40.54 92.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.86 -17.6 57.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.97 21.24 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -140.52 13.19 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.3 m -124.24 -136.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.968 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -113.7 -1.07 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HG ' ' CG2' ' A' ' 12' ' ' VAL . 5.4 mt -68.97 122.29 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -132.98 142.87 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.8 tt0 -56.49 124.2 17.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 109.6 -28.83 10.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.448 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 51.7 m-20 -38.99 156.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 88' ' ' GLN . 0.3 OUTLIER -111.98 113.95 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.58 131.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.5 -61.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 134.15 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.524 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 81.1 mt -96.2 107.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 42.6 t0 67.02 7.21 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.48 18.06 6.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.524 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.2 p -123.02 108.39 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 26.2 t-20 -44.05 152.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.8 p -115.93 -14.13 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 7.1 t0 -63.01 -14.94 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -110.93 -3.25 15.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mtm -110.37 133.71 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -69.57 162.98 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -44.48 -51.06 9.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.96 -58.93 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -39.42 -56.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -57.62 -46.61 83.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.413 ' CE ' HG13 ' A' ' 62' ' ' VAL . 1.2 tmtt? -65.25 -35.44 81.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.492 HD12 ' CZ ' ' A' ' 22' ' ' PHE . 50.2 mt -63.89 -43.39 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -68.13 -42.43 80.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -47.67 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . . . -41.27 152.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -58.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -54.79 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 2.4 p30 -136.29 144.25 44.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.428 ' HB2' ' CB ' ' A' ' 79' ' ' ALA . 7.4 tp -116.95 94.11 4.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -86.61 147.03 26.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.451 ' CD2' HG21 ' A' ' 59' ' ' ILE . 11.2 mt -144.35 119.69 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.4 m -90.44 115.58 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.508 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -107.56 170.77 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.22 146.04 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 110.25 19.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -133.57 -54.79 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 55.98 85.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.0 -117.3 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -177.47 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -94.31 -171.49 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.91 -45.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.412 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 2.3 mtp -178.33 111.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -90.84 125.52 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.5 p90 -137.22 177.43 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -141.94 159.29 42.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 5.1 t -120.48 150.29 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.2 m -129.3 104.44 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.454 ' HB2' ' CZ3' ' A' ' 20' ' ' TRP . 5.4 mt -110.69 119.77 40.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.2 m -76.15 123.59 26.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -89.64 155.24 24.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.504 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.03 147.63 89.7 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.024 0.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.26 -88.16 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.2 53.93 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.991 0.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.55 ' CE3' HD21 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -91.06 97.55 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.91 52.82 4.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.589 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.4 p90 -143.23 133.9 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 0.801 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -101.29 170.27 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 25.9 mt -117.91 158.26 25.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' NE2' ' OG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -131.01 167.34 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.72 -130.3 12.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.03 175.19 20.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -32.19 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.55 -46.31 88.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -92.37 21.49 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 47.0 33.41 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.0 163.46 43.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.95 14.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 102.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.473 ' CG2' HD13 ' A' ' 55' ' ' LEU . 1.1 p -116.47 164.08 15.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.45 HG23 ' CD1' ' A' ' 39' ' ' ILE . 5.2 mm -77.48 108.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.418 ' N ' ' HG2' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -57.67 -63.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -148.78 170.82 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.45 ' CD1' HG23 ' A' ' 36' ' ' ILE . 69.6 mt -143.45 144.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.2 m -87.39 139.02 31.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 125.81 9.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 0.0 111.022 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.35 78.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.7 p -81.85 167.56 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -16.52 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.444 ' CB ' HD11 ' A' ' 50' ' ' LEU . . . -81.77 -20.35 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.78 8.79 31.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -117.42 -29.57 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 87.2 p -76.26 -127.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.83 10.3 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.444 HD11 ' CB ' ' A' ' 45' ' ' ALA . 3.8 pp -91.34 121.6 33.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.71 168.66 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' SER . 38.5 tt0 -72.76 130.1 39.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.25 -22.64 34.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 85.5 m-20 -40.69 153.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.473 HD13 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -106.69 104.14 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.4 t -77.11 130.33 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.99 -59.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -132.48 136.76 46.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.516 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 38.3 mt -95.35 107.62 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' SER . 10.6 t0 68.58 5.62 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 13.33 7.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 7.7 p -117.16 106.82 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -42.49 149.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 43.8 p -114.23 -27.64 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.12 -37.84 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -80.31 -36.28 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.7 mtm -78.59 154.16 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -88.09 -164.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -70.14 -57.25 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 73' ' ' GLN . 7.6 tp -58.85 -64.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.5 mm-40 -38.11 -54.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.25 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 mt-30 -57.83 -44.6 86.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.36 -26.83 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -71.51 -22.39 61.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.43 ' HA ' ' CD1' ' A' ' 83' ' ' LEU . 88.6 mt -77.02 -53.38 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -24.41 66.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -24.56 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.76 152.18 44.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 -64.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.09 -53.93 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.36 155.23 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.55 HD21 ' CE3' ' A' ' 20' ' ' TRP . 5.9 tp -124.22 106.89 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -98.89 145.54 26.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.466 ' CD2' ' CG2' ' A' ' 59' ' ' ILE . 8.6 mt -143.57 122.92 13.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.2 m -92.8 115.7 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 1.0 OUTLIER -107.13 172.23 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.91 140.04 32.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -81.04 119.94 24.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.53 125.65 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 110.041 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.96 99.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.55 -137.0 2.78 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -131.0 96.35 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -106.89 -173.84 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.95 -44.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.421 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -168.46 117.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 111.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -91.18 117.73 29.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 8.2 p90 -130.78 177.9 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.99 164.08 30.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 48' ' ' SER . 61.3 t -126.08 148.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -117.49 96.41 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.479 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 10.1 mt -100.17 92.36 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -66.51 141.51 57.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.82 154.87 17.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 143.99 79.54 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 110.993 0.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.513 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.23 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.513 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.989 0.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 14' ' ' LEU . 2.6 m95 -90.46 97.55 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.62 49.7 3.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' CE1' HD13 ' A' ' 76' ' ' ILE . 3.3 p90 -142.47 143.17 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.737 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -108.79 165.78 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.422 HD23 ' CD2' ' A' ' 34' ' ' LEU . 64.9 mt -108.46 164.33 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -130.01 173.38 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.28 -144.88 0.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.21 171.69 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -56.34 -34.96 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -45.46 81.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.9 11.73 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 47.24 35.53 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmm -131.31 164.26 43.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.8 11.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' CD2' HD23 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.6 102.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.468 ' CG2' HD12 ' A' ' 55' ' ' LEU . 5.6 p -114.23 161.46 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.477 ' CG1' ' HB2' ' A' ' 54' ' ' ASP . 11.1 mm -70.97 97.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -72.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 164.21 32.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.417 ' CD1' HG21 ' A' ' 36' ' ' ILE . 67.0 mt -139.05 143.01 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.465 ' CG2' ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -94.26 146.5 31.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.465 ' HD2' ' CG2' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.02 132.02 14.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.83 -45.46 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 p -49.22 170.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -62.59 -38.65 90.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.08 -28.34 51.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.69 18.46 12.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -139.88 12.51 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.425 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 83.3 p -123.11 -134.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -117.64 1.87 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 87' ' ' LEU . 95.5 mt -68.55 128.03 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 31.5 m -140.32 146.69 38.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.83 119.92 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 113.62 -28.38 8.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.477 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 87.3 m-20 -39.17 154.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.468 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.83 104.62 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.93 132.04 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.91 -60.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -130.09 137.42 50.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.535 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 19.9 mt -94.92 107.48 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.46 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 4.4 t0 68.38 5.78 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.16 12.73 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.535 ' CG1' ' O ' ' A' ' 59' ' ' ILE . 8.9 p -116.82 106.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -40.8 156.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.473 HG23 ' CD1' ' A' ' 59' ' ' ILE . 30.9 p -124.81 0.29 8.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -65.56 -44.98 85.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -82.13 -14.34 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -92.25 138.22 31.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -80.85 164.99 22.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -43.26 -49.81 6.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 73' ' ' GLN . 7.8 tp -62.46 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mm-40 -38.51 -56.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.25 -45.58 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -59.2 -39.01 81.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -31.54 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.467 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 1.0 OUTLIER -61.23 -44.26 97.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.464 HD13 ' CE1' ' A' ' 22' ' ' PHE . 84.6 mt -51.25 -53.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.93 -36.9 84.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -50.95 47.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.57 152.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.3 m -136.29 -55.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -54.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.96 146.36 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.413 HD21 ' CD2' ' A' ' 20' ' ' TRP . 25.3 tp -113.66 84.31 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.46 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 2.7 m -80.06 142.66 34.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.457 ' CD2' HG12 ' A' ' 59' ' ' ILE . 8.2 mt -143.31 127.12 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.2 m -96.72 116.08 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.5 OUTLIER -108.05 172.72 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.5 128.34 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -71.62 110.34 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.55 104.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 p -88.78 124.57 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.84 177.47 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -138.84 161.33 37.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.3 t -129.13 138.65 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -111.79 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.773 HD11 ' CD1' ' A' ' 50' ' ' LEU . 46.0 mt -96.97 89.34 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 m -56.78 146.86 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -109.86 156.2 15.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -74.97 154.2 99.57 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.026 -0.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -76.75 -91.72 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.41 52.85 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.959 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 83' ' ' LEU . 2.1 m95 -89.19 97.41 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' THR . . . -87.01 52.72 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.158 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 3.2 p90 -144.81 135.49 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -103.26 164.48 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 HD21 ' A' ' 34' ' ' LEU . 76.7 mt -105.64 155.06 19.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -118.69 164.6 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.87 -140.94 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.06 -174.31 23.28 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -75.88 -41.24 52.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 11.2 p-10 -68.38 -10.3 54.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.9 -2.66 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.35 32.8 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.1 mtp -134.15 157.26 78.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 128.9 11.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.756 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.46 102.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 55' ' ' LEU . 9.1 p -113.52 162.4 16.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.909 HG21 HD11 ' A' ' 39' ' ' ILE . 11.6 mm -73.34 95.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 42.8 t -49.22 -71.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 170.19 16.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.909 HD11 HG21 ' A' ' 36' ' ' ILE . 95.3 mt -144.58 143.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.0 m -82.91 133.5 48.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.95 -5.42 42.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -81.33 168.78 18.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.51 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.8 16.66 18.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.32 16.87 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.45 ' HB2' HG13 ' A' ' 12' ' ' VAL . 80.6 p -125.03 -120.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -125.39 0.81 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.997 HD23 HD21 ' A' ' 87' ' ' LEU . 12.4 mt -73.32 126.77 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.0 m -139.2 150.39 45.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' SER . 3.6 tt0 -63.39 123.12 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.68 -25.85 16.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' HD23 ' A' ' 87' ' ' LEU . 83.1 m-20 -39.92 156.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.44 105.04 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -77.16 132.32 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.37 -52.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.69 146.79 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.117 HG23 ' CD2' ' A' ' 85' ' ' LEU . 90.6 mt -117.04 110.59 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 67.47 19.28 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.84 23.02 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 75' ' ' LYS . 43.1 t -129.23 111.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -46.19 158.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 33.4 p -114.33 -28.62 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -47.41 -25.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' THR . 8.3 t -97.51 -28.25 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.0 mtm -88.2 135.95 33.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -73.25 174.23 8.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -53.47 -47.53 69.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 70' ' ' LEU . 8.4 tp -63.59 -61.63 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -38.72 -58.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.79 55.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -46.83 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.363 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.64 -30.36 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -63.98 -39.13 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 52.9 mt -54.64 -45.18 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -46.15 71.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -47.03 -49.62 20.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.74 153.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.4 -89.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -53.64 13.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.44 155.59 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.4 tp -119.95 91.67 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.555 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.3 144.36 28.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.117 ' CD2' HG23 ' A' ' 59' ' ' ILE . 15.9 mt -147.98 118.12 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 5.0 m -90.13 117.82 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.82 172.36 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.9 142.7 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.99 110.3 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -174.24 109.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.9 p -89.55 122.78 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.7 p90 -128.88 177.31 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -140.71 157.74 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.867 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.6 t -121.6 135.85 60.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 m -117.59 99.72 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -106.09 117.66 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.9 m -73.23 132.9 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.6 157.56 19.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 146.87 87.85 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.013 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -72.0 -82.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 174.22 53.85 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -92.51 97.9 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.58 47.37 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.2 p90 -134.29 136.08 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -103.14 169.96 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.77 HD22 HD23 ' A' ' 34' ' ' LEU . 48.3 mt -112.06 160.53 17.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.18 164.29 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.39 -139.3 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.47 172.54 13.18 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -33.22 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -48.22 73.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.07 -3.74 52.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.53 16.17 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -114.12 164.3 16.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.09 127.9 10.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.77 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.31 102.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -115.91 158.16 23.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.049 HG21 HD11 ' A' ' 39' ' ' ILE . 16.9 mm -65.83 96.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -71.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.18 161.41 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 36' ' ' ILE . 88.4 mt -137.88 141.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 41' ' ' PRO . 18.8 m -90.68 144.75 30.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.95 139.55 24.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 -44.17 2.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -48.51 173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.56 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.468 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -66.28 -25.16 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.12 16.25 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -138.25 11.26 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.0 p -120.67 -134.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.96 -5.26 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.978 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -68.77 121.92 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.9 m -131.76 146.5 52.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -60.03 124.49 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 107.99 -27.22 15.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG22 ' A' ' 35' ' ' THR . 80.3 m-20 -39.2 157.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.67 113.2 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -81.9 131.15 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.19 -48.14 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.68 153.56 50.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 75' ' ' LYS . 77.2 mt -119.88 110.47 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 6.6 t0 68.07 12.29 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.16 18.68 10.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 88.7 t -125.4 112.06 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 12.6 t-20 -42.35 157.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' VAL . 24.8 p -114.57 -27.13 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.52 -27.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -91.38 -33.8 15.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.3 mtm -81.75 151.29 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.4 p -88.05 -166.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.03 -58.04 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.4 tp -57.81 -62.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LEU . 4.4 mm-40 -36.66 -57.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.81 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.701 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -58.12 -51.23 70.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -28.32 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -64.08 -38.28 90.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.458 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -56.05 -50.74 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -44.19 96.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -44.12 -53.82 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.22 145.29 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m -130.99 -55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.7 -56.66 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.97 155.87 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 76' ' ' ILE . 32.6 tp -123.67 91.5 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.543 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -83.88 145.23 28.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 84' ' ' SER . 11.9 mt -146.6 118.49 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 38.5 m -90.49 114.32 26.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.978 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -107.72 169.79 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -134.59 137.15 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -67.08 110.59 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.965 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -171.17 111.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -89.29 125.37 35.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.2 p90 -135.57 177.7 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 p -137.47 162.48 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.3 t -127.0 134.28 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -106.55 101.13 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.932 HD11 HD21 ' A' ' 50' ' ' LEU . 66.6 mt -107.4 103.93 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 145.69 54.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -112.72 158.02 14.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 145.58 84.31 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 -0.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.03 -86.89 0.12 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.494 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.59 51.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.958 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.57 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -91.38 97.69 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.88 53.33 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 2.4 p90 -142.21 134.12 27.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.71 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 34' ' ' LEU . 66.4 mt -112.75 158.16 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.02 169.61 11.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.06 -143.98 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 167.98 12.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.32 -30.83 12.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -45.73 63.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -85.06 7.5 21.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 54.46 20.64 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -118.53 163.32 26.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.98 127.31 10.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.45 102.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.8 p -113.43 159.3 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.881 HG21 HD11 ' A' ' 39' ' ' ILE . 13.0 mm -68.01 89.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.1 t -41.12 -65.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.08 168.99 22.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 36' ' ' ILE . 69.8 mt -141.31 146.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.58 141.94 45.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.05 121.19 6.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.7 -7.29 63.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -77.23 163.6 26.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -33.58 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.35 -21.02 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.59 -13.95 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.95 24.82 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 36.9 p -116.6 -87.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.29 -37.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.932 HD21 HD11 ' A' ' 14' ' ' LEU . 4.1 pp -66.85 121.65 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 174.18 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.63 139.94 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.32 -30.93 7.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.7 m-20 -39.65 157.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -110.82 114.26 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.6 t -83.87 130.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -49.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -137.43 149.44 46.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.065 HG23 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -117.31 110.72 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 67.76 17.84 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.73 21.35 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 75' ' ' LYS . 94.0 t -126.42 110.83 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -41.5 160.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' VAL . 60.0 p -120.85 -37.07 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -43.94 -32.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 t -81.75 -37.53 27.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' THR . 43.7 mtm -82.53 153.7 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -85.9 -171.36 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.78 -58.06 8.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLU . 6.7 tp -55.07 -66.36 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 12.2 mm-40 -35.8 -56.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.18 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.558 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.87 -40.9 73.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -35.63 76.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 62' ' ' VAL . 8.7 tptt -58.19 -35.24 71.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 24' ' ' LEU . 59.1 mt -60.75 -48.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -46.87 78.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.24 -52.05 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.92 154.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -135.32 -91.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -56.0 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -135.63 158.94 43.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 20' ' ' TRP . 15.7 tp -127.9 89.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -81.6 148.7 28.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.065 ' CD2' HG23 ' A' ' 59' ' ' ILE . 16.4 mt -148.7 122.44 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.517 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.5 m -92.76 117.63 30.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.517 HD12 ' C ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -108.72 171.16 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.54 132.64 35.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 104.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.15 117.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -91.04 122.29 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -137.41 177.63 7.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -141.8 158.93 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.951 HG21 ' HG ' ' A' ' 50' ' ' LEU . 11.2 t -121.84 138.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.2 m -115.41 95.62 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 44' ' ' LYS . 83.2 mt -100.91 103.12 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 2.4 m -64.84 142.47 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -106.48 154.79 16.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.04 147.47 89.3 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.61 -89.14 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.28 53.53 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.029 -0.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.425 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -91.35 97.86 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.27 56.75 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.5 p90 -146.03 133.98 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -97.39 170.34 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 34' ' ' LEU . 51.0 mt -112.81 154.93 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -123.54 172.76 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 35.17 -142.74 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.53 166.82 11.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -59.77 -26.61 65.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -43.65 97.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.24 3.81 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t30 69.64 15.31 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.2 mtp -104.54 157.26 34.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.08 12.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.39 103.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.808 ' CG2' HD12 ' A' ' 55' ' ' LEU . 4.6 p -118.06 163.81 16.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.895 HG21 HD11 ' A' ' 39' ' ' ILE . 10.2 mm -73.03 104.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -54.58 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.85 148.67 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 36' ' ' ILE . 79.5 mt -122.93 139.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -83.12 136.19 43.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.97 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.86 -2.95 17.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -88.81 167.49 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -63.99 -41.38 97.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.24 61.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB2' ' CG2' ' A' ' 39' ' ' ILE . . . -92.87 13.1 21.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.75 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.557 ' HB2' HG13 ' A' ' 12' ' ' VAL . 4.6 p -135.53 -106.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.485 ' HB2' HG22 ' A' ' 12' ' ' VAL . 5.9 mt-30 -142.15 13.94 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.951 ' HG ' HG21 ' A' ' 12' ' ' VAL . 1.8 mt -91.48 123.05 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -130.61 146.68 52.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.48 122.44 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 108.69 -22.14 26.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.736 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.3 m-20 -39.77 155.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.808 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.86 103.55 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 64' ' ' THR . 22.0 t -75.07 128.86 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -105.61 -53.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.35 143.15 43.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.027 HG23 HD23 ' A' ' 85' ' ' LEU . 97.8 mt -109.21 110.62 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 70.94 9.92 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 14.6 17.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HE2' ' A' ' 75' ' ' LYS . 3.9 t -120.03 110.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.474 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.0 t-20 -42.83 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' VAL . 56.9 p -115.29 -0.93 13.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 13.8 t0 -74.9 -3.22 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 -1.89 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.567 ' SD ' ' HB2' ' A' ' 72' ' ' ALA . 5.5 ptp -117.51 142.46 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -77.14 -166.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.95 -57.4 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLN . 13.3 tp -59.04 -56.85 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.42 -54.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.567 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -56.85 -47.34 80.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -54.49 -35.14 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -24.41 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.831 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -69.17 -35.78 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HD21 ' A' ' 83' ' ' LEU . 80.1 mt -57.42 -51.79 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.76 -41.36 98.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -42.68 -53.9 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.88 161.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -138.83 -80.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -56.92 9.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.516 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m120 -138.96 169.76 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 76' ' ' ILE . 31.0 tp -124.39 88.74 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.55 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.027 HD23 HG23 ' A' ' 59' ' ' ILE . 11.9 mt -142.8 119.8 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.6 m -90.75 115.19 27.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.66 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.62 132.41 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 6.4 mmtt -73.55 111.81 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtp -175.5 102.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -90.35 128.19 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.62 177.4 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 p -133.26 164.21 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.825 HG11 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -130.03 145.71 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -112.39 95.75 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 21.4 mt -88.97 81.44 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -51.09 131.45 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.05 -177.32 33.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.96 -175.52 16.17 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.998 -0.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -54.16 -166.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 54.2 m95 -112.18 98.9 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -74.41 54.33 2.38 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 20' ' ' TRP . 1.6 p90 -158.07 131.58 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -108.31 168.48 9.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 34' ' ' LEU . 45.9 mt -111.37 159.83 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -126.67 167.75 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.88 -133.09 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.71 169.9 13.08 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.19 -39.46 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.45 -42.08 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -82.85 4.9 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 55.93 33.05 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.8 mmm -136.04 163.46 50.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.01 128.24 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.22 102.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.3 p -115.05 158.03 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 39' ' ' ILE . 16.5 mm -64.08 98.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.2 t -51.42 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 166.35 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.924 HD11 HG21 ' A' ' 36' ' ' ILE . 95.6 mt -143.07 139.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 41' ' ' PRO . 32.0 m -83.84 140.67 40.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.07 114.71 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.86 -23.08 10.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -67.76 168.98 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -23.14 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -76.63 -15.23 59.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -109.09 10.94 25.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.76 14.26 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.2 -124.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -120.21 -7.11 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.838 HD23 HD21 ' A' ' 87' ' ' LEU . 6.5 mt -69.01 127.12 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -136.55 144.59 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 37' ' ' SER . 4.8 tt0 -57.84 124.92 20.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 110.26 -29.35 9.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' OD2' HD23 ' A' ' 87' ' ' LEU . 45.1 m-20 -39.18 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.29 115.38 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.06 130.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.23 -51.06 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.25 146.64 46.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.098 HG23 ' CD2' ' A' ' 85' ' ' LEU . 30.8 mt -111.88 110.5 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 70.33 10.08 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.89 15.46 14.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.493 HG21 ' HE2' ' A' ' 75' ' ' LYS . 49.8 t -121.36 112.28 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -41.23 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 59' ' ' ILE . 38.2 p -118.75 -34.16 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -28.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -90.96 -34.13 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' THR . 26.2 mtm -84.0 139.7 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.4 p -73.33 -175.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.13 -38.07 87.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.636 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.7 -62.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mt-10 -38.17 -45.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB1' ' CD1' ' A' ' 59' ' ' ILE . . . -65.43 -44.14 88.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -64.36 -51.3 64.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.0 m-20 -52.65 -30.41 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HE2' HG21 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -63.91 -38.29 90.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.552 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 79.7 mt -55.46 -52.06 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -35.04 71.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -50.31 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.08 152.86 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -135.93 -74.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -56.19 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -138.85 144.62 39.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.449 HD21 ' CE2' ' A' ' 22' ' ' PHE . 2.7 tp -114.85 104.93 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -92.7 145.31 24.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.098 ' CD2' HG23 ' A' ' 59' ' ' ILE . 13.7 mt -145.95 121.68 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.8 m -91.02 118.41 30.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -107.61 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.43 136.22 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -71.98 118.89 15.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -165.19 104.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -94.21 126.46 39.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.7 p90 -132.0 177.34 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.6 p -136.65 162.68 32.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.96 HG21 ' HB3' ' A' ' 50' ' ' LEU . 8.2 t -123.5 140.4 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -116.33 101.29 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 50' ' ' LEU . 12.2 mt -102.33 99.44 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -62.06 130.48 45.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.494 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.25 152.38 21.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.01 142.28 74.27 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.972 0.045 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.77 -90.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.05 174.29 53.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 0.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -95.52 98.5 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 59.91 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 p90 -148.88 133.41 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -95.78 169.79 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 73' ' ' GLN . 78.1 mt -109.23 153.5 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.03 171.73 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.12 -136.21 0.97 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.73 159.43 12.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -46.95 -37.62 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.65 -48.43 81.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -91.32 19.68 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 43.97 36.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -128.99 163.32 46.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.22 13.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD21 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -59.37 102.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.823 ' CG2' HD12 ' A' ' 55' ' ' LEU . 2.6 p -115.29 167.17 11.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 39' ' ' ILE . 4.3 mm -79.83 93.42 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -42.19 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.42 165.36 36.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.873 HD11 HG21 ' A' ' 36' ' ' ILE . 37.8 mt -135.69 148.1 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.634 HG23 ' HD2' ' A' ' 41' ' ' PRO . 10.3 m -82.74 144.89 49.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.0 113.29 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.99 -22.86 22.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.8 p -63.8 156.88 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -57.06 -29.52 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.853 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.89 -32.7 74.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -95.62 -3.8 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.73 31.31 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 56.6 p -126.4 -84.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 48' ' ' SER . 12.4 mt-30 -166.55 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 14' ' ' LEU . 4.5 pp -66.49 121.78 16.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -118.17 174.52 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.25 143.9 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 89.62 -27.51 7.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.764 ' OD2' HD23 ' A' ' 87' ' ' LEU . 6.5 m-20 -39.57 155.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.823 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.5 OUTLIER -110.76 107.02 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.0 130.92 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.15 -42.87 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -141.25 156.13 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.821 HG23 ' CD2' ' A' ' 85' ' ' LEU . 73.0 mt -126.47 110.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' SER . 7.3 t0 72.12 11.23 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.94 15.78 19.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HE2' ' A' ' 75' ' ' LYS . 11.5 t -121.27 112.74 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 64' ' ' THR . 31.9 t-20 -48.47 148.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 22.8 p -105.3 9.78 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.516 ' C ' HG22 ' A' ' 66' ' ' THR . 12.3 t70 -81.4 58.27 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' C ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 170.44 -32.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.1 ptp -77.51 135.53 38.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -75.0 174.04 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -50.47 -50.97 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.41 -60.96 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-10 -38.54 -43.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -67.23 -42.89 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.786 ' HG2' HD12 ' A' ' 24' ' ' LEU . 6.1 mt-30 -64.3 -49.23 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.2 m-20 -56.95 -29.9 63.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HE2' HG11 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -62.11 -35.17 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -58.93 -52.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -44.92 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.4 t -41.32 -53.88 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.4 155.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 m -132.39 -80.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -55.92 -56.84 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -139.35 162.91 33.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' A' ' 76' ' ' ILE . 22.8 tp -123.19 88.25 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -80.32 144.39 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.821 ' CD2' HG23 ' A' ' 59' ' ' ILE . 8.3 mt -143.97 135.22 25.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 20.4 m -104.89 115.15 29.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.764 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -107.72 171.96 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.76 142.95 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -71.33 116.4 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.1 103.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -88.26 122.97 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.9 p90 -132.08 177.55 7.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -136.71 169.57 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.056 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 50' ' ' LEU . 26.2 t -131.44 146.14 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -128.5 95.72 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.6 mt -101.51 109.45 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -68.0 127.2 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.43 152.6 22.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 144.33 80.62 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.996 0.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.34 -86.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.37 53.06 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -93.82 98.22 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 58.56 3.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p90 -145.72 136.12 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -96.82 170.08 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 34' ' ' LEU . 76.0 mt -114.35 156.84 23.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.54 170.5 11.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.74 -147.24 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.15 166.68 11.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.86 -30.85 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -45.82 82.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.63 -0.36 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.81 22.38 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.83 164.37 17.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.03 128.07 11.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -60.06 102.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -116.39 164.37 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.787 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -73.47 105.95 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 168.69 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -142.78 138.81 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -89.35 138.17 28.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.03 -21.76 32.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -69.43 178.66 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -63.69 -23.71 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.42 15.89 18.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -138.77 11.88 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -122.28 -138.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -118.99 20.66 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.023 HD23 HD21 ' A' ' 87' ' ' LEU . 3.8 mt -91.13 122.11 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -128.93 142.69 50.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.63 121.88 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.99 -27.39 10.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 87' ' ' LEU . 63.8 m-20 -39.19 156.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.63 112.7 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG12 HG21 ' A' ' 64' ' ' THR . 31.6 t -80.42 130.1 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.26 -44.48 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 64' ' ' THR . . . -140.65 155.67 46.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.797 HG23 ' CD2' ' A' ' 85' ' ' LEU . 57.8 mt -127.13 110.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 t0 71.06 11.22 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.3 16.23 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.581 HG11 ' CE ' ' A' ' 75' ' ' LYS . 15.6 t -122.48 113.08 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.6 t-20 -43.18 162.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 67' ' ' MET . 73.1 p -121.97 12.93 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 6.5 t70 -90.16 15.98 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -147.47 19.46 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.618 ' HE3' HG22 ' A' ' 64' ' ' THR . 19.4 ptp -131.92 138.16 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -77.38 159.96 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -40.03 -57.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLU . 13.2 tp -56.73 -58.67 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mm-40 -37.18 -56.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -54.54 -51.04 66.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -50.18 -38.05 37.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -32.26 73.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' HG21 ' A' ' 59' ' ' ILE . 2.9 tptt -60.01 -30.19 68.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.89 -51.18 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -65.65 -42.91 90.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -45.14 -51.52 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.46 155.2 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -131.93 -89.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.89 -56.74 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.45 159.06 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD11 HD21 ' A' ' 85' ' ' LEU . 20.7 tp -121.73 93.25 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -82.81 144.03 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.797 ' CD2' HG23 ' A' ' 59' ' ' ILE . 14.2 mt -147.65 119.58 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.52 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.6 m -90.83 118.56 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.023 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.83 171.08 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.8 130.56 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -65.66 112.11 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.65 108.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -96.41 128.64 43.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.0 p90 -133.85 177.02 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.9 p -135.52 163.82 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.874 HG11 HD23 ' A' ' 50' ' ' LEU . 3.4 t -128.1 134.88 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 m -104.45 110.48 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 50' ' ' LEU . 34.7 mt -109.51 94.68 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -67.51 126.08 28.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.02 156.08 25.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.06 137.45 50.4 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.987 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.2 -92.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.03 174.47 52.55 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.625 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.2 m95 -90.96 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.26 50.84 4.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p90 -144.57 131.01 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 2.3 mtm180 -96.57 168.94 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 73' ' ' GLN . 63.2 mt -111.65 158.83 18.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -130.02 172.02 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.55 -145.63 0.12 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.2 176.78 14.58 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -58.09 -31.91 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.62 -45.02 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -88.61 17.89 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 41.07 32.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 mmm -128.89 162.85 49.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.78 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.883 HG22 HD12 ' A' ' 55' ' ' LEU . 4.2 p -113.41 158.0 21.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 39' ' ' ILE . 10.8 mm -68.13 98.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 10.9 t -48.04 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.08 172.22 13.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 36' ' ' ILE . 69.6 mt -142.39 140.94 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 41' ' ' PRO . 4.3 m -85.24 140.86 36.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.96 116.72 4.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.61 -36.09 4.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.1 p -54.3 162.09 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -24.15 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.931 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.19 -31.46 71.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.61 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -137.31 11.01 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -113.27 -132.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.24 4.08 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD11 ' HB1' ' A' ' 45' ' ' ALA . 2.7 pp -90.55 124.41 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -123.36 174.02 7.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.96 132.59 40.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.78 -25.32 27.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.718 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.6 m-20 -40.17 155.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.883 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.63 104.15 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.75 132.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.23 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.85 131.47 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.074 HG23 HD23 ' A' ' 85' ' ' LEU . 30.8 mt -89.48 108.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.9 t0 68.9 7.22 6.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.85 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.047 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -120.5 103.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.6 t-20 -39.75 146.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 50.9 p -117.54 -8.86 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 3.0 m-20 -58.99 -24.27 62.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 t -101.15 -20.3 15.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.447 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.2 mtm -88.9 140.31 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.8 p -82.59 164.3 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.17 -56.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.603 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.5 tp -56.29 -59.32 5.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.71 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.81 -52.71 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.8 mt-30 -52.13 -45.44 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.87 -32.87 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE2' HG11 ' A' ' 62' ' ' VAL . 8.6 tptt -60.68 -51.87 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 22' ' ' PHE . 32.6 mt -41.67 -48.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -48.55 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -39.21 -49.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.85 150.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.26 -57.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -55.09 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.15 138.07 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 20' ' ' TRP . 19.6 tp -104.26 90.11 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.5 m -86.28 145.1 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.074 HD23 HG23 ' A' ' 59' ' ' ILE . 6.4 mt -142.71 128.02 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.494 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.9 m -97.52 114.3 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.718 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -106.2 171.44 7.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.16 141.33 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -68.4 125.22 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -169.48 115.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -89.05 128.15 35.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -141.62 177.95 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -141.8 165.37 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.824 HG21 ' HG ' ' A' ' 50' ' ' LEU . 8.5 t -129.91 138.07 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -109.37 97.73 7.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 50' ' ' LEU . 99.0 mt -102.62 97.05 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.0 m -68.05 139.05 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.487 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.11 160.06 16.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 135.95 42.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.01 -0.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -57.66 -89.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.4 52.87 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.518 ' CD1' HG22 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -91.81 97.91 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.87 54.67 3.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 6.2 p90 -143.09 133.59 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.19 169.68 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 34' ' ' LEU . 20.4 mt -122.06 161.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ILE . 1.2 pt20 -131.21 172.77 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.99 -136.38 10.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 168.89 19.51 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 -33.98 40.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.69 -47.08 85.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -92.71 24.61 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 42.01 32.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -127.23 163.11 44.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.31 15.28 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.567 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.846 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.7 p -116.69 166.04 12.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 39' ' ' ILE . 10.1 mm -77.99 116.38 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 11.3 t -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 163.7 29.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 36' ' ' ILE . 94.0 mt -142.82 135.25 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.688 HG23 ' HD2' ' A' ' 41' ' ' PRO . 6.3 m -84.42 145.47 45.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.0 137.63 21.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.34 -28.32 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.5 p -62.34 164.48 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.667 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.28 -27.97 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -70.51 -19.12 62.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.66 16.79 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -135.59 9.72 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.47 ' HB2' HG13 ' A' ' 12' ' ' VAL . 84.1 p -121.2 -134.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB2' HG22 ' A' ' 12' ' ' VAL . 1.9 mt-30 -114.1 -3.76 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 87' ' ' LEU . 4.1 mt -68.78 122.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -131.04 156.78 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.9 tt0 -70.12 117.76 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.17 -21.89 16.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.667 ' OD2' HD23 ' A' ' 87' ' ' LEU . 79.4 m-20 -40.22 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.846 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -113.81 102.58 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.5 131.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.1 -62.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -131.49 132.8 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.035 ' O ' HG12 ' A' ' 62' ' ' VAL . 44.4 mt -91.15 108.3 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.4 t0 69.12 6.94 5.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.84 20.16 6.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -120.52 104.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' VAL . 25.5 t-20 -40.33 146.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' MET . 43.3 p -113.58 -20.28 11.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.35 -30.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -93.45 -30.85 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' THR . 1.4 mtm -81.89 122.27 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.6 p -66.78 -174.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -59.0 -49.53 77.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.9 tp -65.82 -57.31 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -43.09 -53.64 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.04 -28.92 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -23.74 59.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -71.61 -29.02 64.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TRP . 68.8 mt -65.9 -48.1 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -45.07 91.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -43.66 -48.09 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.2 147.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -127.57 -71.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.3 -53.0 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -137.48 173.32 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 76' ' ' ILE . 10.1 tp -141.31 94.24 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.4 m -87.78 145.9 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 59' ' ' ILE . 6.3 mt -141.91 130.03 22.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.486 ' C ' HD12 ' A' ' 87' ' ' LEU . 19.7 m -100.99 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.03 171.59 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.35 135.16 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 9.2 mmtt -74.48 116.24 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -175.92 110.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 p -86.15 132.8 33.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 p90 -144.05 177.72 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -141.28 165.0 28.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.887 HG11 ' CD2' ' A' ' 50' ' ' LEU . 11.3 t -127.67 146.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -118.23 97.77 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -100.87 108.45 20.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -74.69 134.34 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -98.22 153.88 20.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.99 150.61 95.73 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 -0.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -73.01 -89.49 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.38 53.0 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.3 m95 -91.9 97.78 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.7 53.05 4.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 3.1 p90 -142.81 138.46 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.05 169.7 8.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' A' ' 34' ' ' LEU . 18.6 mt -115.16 154.75 28.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -122.83 170.49 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.08 -140.6 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.82 167.66 12.41 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -50.6 -43.96 56.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -84.83 9.16 14.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 49.93 25.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mmm -126.11 163.7 38.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.35 11.38 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.905 HG22 HD12 ' A' ' 55' ' ' LEU . 3.3 p -112.81 158.53 20.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.123 HG21 HD11 ' A' ' 39' ' ' ILE . 9.7 mm -68.87 92.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -41.77 -66.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 158.16 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 1.123 HD11 HG21 ' A' ' 36' ' ' ILE . 24.2 mt -133.28 146.7 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.707 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -82.8 145.23 49.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.94 127.07 10.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.7 -19.46 54.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.5 p -63.57 161.21 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -60.08 -47.26 86.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -52.2 -35.53 49.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -93.23 18.79 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.9 mt-30 -139.74 12.3 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -112.15 -74.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 48' ' ' SER . 5.1 mt-30 -172.93 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.887 ' CD2' HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -63.58 124.69 22.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.4 m -124.77 174.34 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -73.48 125.87 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.05 -28.89 9.31 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -39.75 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.905 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -109.13 104.04 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.6 t -77.07 131.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -57.38 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -127.31 147.91 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.081 HG23 ' CD2' ' A' ' 85' ' ' LEU . 83.9 mt -116.99 110.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 68.15 21.36 8.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 24.48 20.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HE2' ' A' ' 75' ' ' LYS . 20.0 t -130.29 110.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 9.7 t-20 -47.19 157.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' VAL . 69.2 p -118.57 -8.71 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 10.6 t0 -62.22 -17.69 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 12.0 mtm -88.57 142.3 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -79.1 173.55 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -51.73 -57.2 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -53.15 -59.86 4.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -38.65 -63.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.35 -50.88 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -58.09 -44.22 87.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -32.32 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.588 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.41 -42.06 95.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 83' ' ' LEU . 70.8 mt -52.14 -47.65 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -68.5 -53.12 25.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -50.48 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -131.19 -88.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -56.89 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.55 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 76' ' ' ILE . 30.2 tp -134.68 89.61 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -80.05 147.42 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.081 ' CD2' HG23 ' A' ' 59' ' ' ILE . 17.1 mt -147.27 124.77 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.495 ' C ' HD12 ' A' ' 87' ' ' LEU . 32.7 m -96.76 114.88 26.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -105.43 171.42 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.31 130.74 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.89 103.72 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.414 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.5 OUTLIER 177.08 101.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -87.86 128.55 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.66 177.33 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -136.7 163.16 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.878 HG21 ' HG ' ' A' ' 50' ' ' LEU . 24.7 t -127.54 149.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -130.15 95.52 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 50' ' ' LEU . 20.9 mt -100.23 102.12 13.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.8 m -63.25 140.51 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -102.81 152.92 18.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.03 144.7 81.75 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.969 0.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.58 -90.02 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.566 1.167 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.33 53.27 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.976 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.448 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.1 m95 -93.94 98.51 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.65 56.55 3.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p90 -149.78 134.25 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -99.69 168.21 10.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.913 HD12 ' HG2' ' A' ' 73' ' ' GLN . 64.4 mt -111.1 159.48 17.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -127.14 172.83 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -147.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.6 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -34.41 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.08 -45.13 67.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -82.11 4.86 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.86 23.28 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -123.98 163.3 36.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.8 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.911 HG22 HD12 ' A' ' 55' ' ' LEU . 6.3 p -114.41 161.71 17.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -70.96 98.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 15.6 t -49.93 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.66 164.73 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 36' ' ' ILE . 97.4 mt -140.54 138.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 41' ' ' PRO . 27.5 m -88.22 139.66 30.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.01 133.5 16.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -15.78 61.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.7 p -77.54 163.12 26.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.4 -24.55 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.566 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -73.86 -25.66 60.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.26 18.28 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -140.18 12.79 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -122.43 -139.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -118.4 24.78 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.047 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -98.78 125.0 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m -136.79 152.76 50.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.76 124.0 19.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.6 -26.92 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.504 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -41.56 155.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.774 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.911 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.21 104.07 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.7 t -76.31 132.8 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.3 -65.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -123.7 145.87 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 85' ' ' LEU . 96.5 mt -110.27 110.63 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.5 t0 64.85 17.44 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.54 19.46 15.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 58.7 t -123.13 108.45 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -47.67 150.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 57' ' ' VAL . 41.8 p -114.43 -16.79 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -23.45 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -98.73 -19.82 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 15.6 mtm -96.85 147.12 24.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.0 p -73.16 -178.46 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.58 -55.34 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -55.8 -57.94 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.7 mm-40 -36.99 -59.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -51.41 -43.33 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.913 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.4 mt-30 -64.29 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 1.039 ' ND2' HD21 ' A' ' 70' ' ' LEU . 5.8 m-20 -46.69 -33.05 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -39.66 82.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' GLN . 77.3 mt -55.1 -48.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.04 -43.9 94.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -44.8 -46.9 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.73 152.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -91.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.044 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -56.07 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -136.3 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' ' 20' ' ' TRP . 4.8 tp -136.12 109.69 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -99.06 140.95 32.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.976 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 59' ' ' ILE . 9.4 mt -143.78 119.9 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.522 ' C ' HD12 ' A' ' 87' ' ' LEU . 23.4 m -92.3 119.99 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.047 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -109.28 171.79 7.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.95 131.27 25.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 8' ' ' MET . 43.5 mmtt -67.58 120.74 14.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.48 111.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 p -90.46 126.25 35.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 p90 -135.96 177.68 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -143.24 154.35 43.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.941 HG11 HD23 ' A' ' 50' ' ' LEU . 4.5 t -115.33 137.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -116.0 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 50' ' ' LEU . 14.9 mt -105.9 117.84 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 m -75.16 133.49 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -97.41 151.72 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 147.53 89.51 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.039 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.75 -85.67 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.03 174.28 53.5 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.957 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.432 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -92.57 97.75 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.45 55.66 4.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p90 -144.87 137.83 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -104.73 168.79 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.689 HD22 HD23 ' A' ' 34' ' ' LEU . 16.7 mt -110.41 163.96 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -131.6 167.9 18.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -138.8 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ASN . . . 122.95 172.4 13.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -35.94 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -46.94 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.2 2.24 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLY . 41.3 m-20 59.54 20.13 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.07 164.52 18.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 128.06 11.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.38 102.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -114.34 157.26 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.878 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -66.04 98.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.9 t -50.12 -72.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 168.97 18.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.878 HD11 HG21 ' A' ' 36' ' ' ILE . 68.2 mt -142.13 136.69 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 41' ' ' PRO . 13.8 m -85.06 144.92 42.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.97 129.54 12.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.42 -37.65 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -52.06 166.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -23.86 67.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.941 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.5 -31.59 70.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 21.54 10.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.04 12.06 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' HD21 ' A' ' 14' ' ' LEU . 84.9 p -119.52 -134.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.64 4.54 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.941 HD23 HG11 ' A' ' 12' ' ' VAL . 3.8 pp -89.19 122.79 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 m -121.92 174.0 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 37' ' ' SER . 7.9 tt0 -75.37 136.28 40.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.25 -27.68 18.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.569 ' OD2' HD23 ' A' ' 87' ' ' LEU . 61.7 m-20 -39.82 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.07 112.06 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 37.0 t -81.59 131.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.94 -63.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -128.9 133.07 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.085 HG23 HD23 ' A' ' 85' ' ' LEU . 59.8 mt -94.97 108.41 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 27.9 t0 67.55 7.77 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.56 21.22 6.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.4 p -123.92 107.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -41.03 152.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.45 ' CG2' HG13 ' A' ' 59' ' ' ILE . 68.7 p -118.26 -37.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.75 -36.05 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.04 -36.33 30.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 mtm -78.84 154.62 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 79.1 p -84.44 172.48 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -55.04 -54.37 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.7 tp -56.42 -56.08 25.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 14.6 mm-40 -40.48 -64.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.3 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 4.3 mt-30 -49.93 -45.78 51.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -30.17 69.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -36.53 83.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.677 HG23 ' CD2' ' A' ' 83' ' ' LEU . 79.8 mt -58.16 -50.98 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -65.32 -48.56 72.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -40.43 -55.08 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.04 152.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m -127.91 -86.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TYR . . . . . 0.79 ' HB3' HD21 ' A' ' 82' ' ' ASN . 0.3 OUTLIER -47.03 -56.76 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.79 HD21 ' HB3' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -140.41 169.69 17.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.677 ' CD2' HG23 ' A' ' 76' ' ' ILE . 26.2 tp -126.91 91.42 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.7 m -82.65 142.78 31.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.085 HD23 HG23 ' A' ' 59' ' ' ILE . 11.1 mt -144.65 118.5 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.499 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.8 m -89.71 116.76 28.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.433 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -108.29 171.12 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.62 140.33 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 109.14 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -170.2 102.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -89.93 128.4 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.2 p90 -135.49 177.5 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.7 p -137.46 162.05 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.792 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.8 t -122.58 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.2 m -117.58 96.22 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.003 HD11 ' CD1' ' A' ' 50' ' ' LEU . 27.6 mt -100.8 98.72 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 m -68.11 135.84 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.93 153.46 19.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -74.98 143.86 79.16 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.975 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -65.41 -88.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.97 174.31 53.34 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CE3' HD23 ' A' ' 83' ' ' LEU . 1.1 m95 -91.25 97.68 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 46.85 3.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.7 p90 -136.97 149.09 47.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -115.19 169.89 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.82 HD22 HD23 ' A' ' 34' ' ' LEU . 39.0 mt -114.43 164.12 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -130.09 170.56 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.35 -140.59 0.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.56 12.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -35.63 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.73 -46.6 78.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -86.85 14.69 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 46.18 34.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.97 163.54 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.1 Cg_endo -75.03 128.44 11.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.82 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.97 102.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -115.17 157.24 23.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 HD11 ' A' ' 39' ' ' ILE . 17.6 mm -64.17 104.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.3 t -58.15 -75.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 167.41 20.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.795 HD11 HG21 ' A' ' 36' ' ' ILE . 79.1 mt -143.93 133.24 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.3 m -84.08 143.91 43.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 135.54 19.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.36 -29.62 8.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 p -56.89 170.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -27.61 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.18 -22.7 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.78 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.56 10.17 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 49' ' ' GLN . 51.7 p -119.32 -135.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 48' ' ' SER . 11.9 mt-30 -113.35 -2.8 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.003 ' CD1' HD11 ' A' ' 14' ' ' LEU . 15.3 mt -69.48 122.2 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -133.5 150.57 51.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.5 tt0 -63.58 121.94 15.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.62 -29.18 8.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.2 m-20 -38.83 155.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.87 114.86 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.67 131.17 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.98 -63.62 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.25 133.28 46.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.088 HG23 HD23 ' A' ' 85' ' ' LEU . 44.8 mt -92.44 108.16 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 14.8 t0 68.24 7.32 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.67 21.53 6.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.1 p -122.85 106.63 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.8 t-20 -39.49 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.466 HG21 HG13 ' A' ' 59' ' ' ILE . 63.0 p -114.99 -32.8 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -36.38 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -81.06 -32.26 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 3.5 mtm -81.41 154.88 26.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -85.11 -179.85 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -61.13 -52.14 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.47 -58.08 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -38.59 -59.33 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.23 61.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -61.15 -37.34 82.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -61.55 -43.13 99.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 78.7 mt -51.7 -50.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -44.77 89.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -46.18 -46.74 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.75 148.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t -137.18 -50.12 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.77 -55.06 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -139.16 147.19 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' CE3' ' A' ' 20' ' ' TRP . 22.6 tp -116.25 85.99 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.1 m -82.22 146.05 29.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.088 HD23 HG23 ' A' ' 59' ' ' ILE . 10.4 mt -144.73 119.74 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 63.1 m -89.79 118.49 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.992 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.38 172.11 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.04 133.36 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -68.28 122.5 18.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttp 179.25 105.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -88.35 123.49 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.6 p90 -132.91 177.7 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -137.57 169.73 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 1.081 HG11 HD23 ' A' ' 50' ' ' LEU . 39.4 t -130.31 151.13 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -127.3 101.5 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 mt -107.27 102.98 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -68.37 131.0 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.515 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.34 150.52 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.03 146.4 86.53 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.006 0.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.98 -89.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.01 174.14 54.25 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.978 0.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.4 m95 -90.7 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.99 50.82 3.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 p90 -144.22 130.27 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.21 170.24 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 73' ' ' GLN . 37.3 mt -112.25 160.27 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -128.94 171.75 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.22 -141.08 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.58 163.25 11.7 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.08 -34.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.99 -46.46 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -89.73 20.46 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 41.03 35.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.2 mmm -132.27 163.1 52.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 55' ' ' LEU . 4.1 p -113.59 159.46 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 8.5 mm -71.3 101.27 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.0 t -50.17 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.405 ' HD2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -142.68 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 73.1 mt -138.68 139.4 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -87.76 132.97 38.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.66 -22.67 5.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 p -74.96 169.36 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.52 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.044 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.48 -20.45 66.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.51 16.87 23.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -136.08 10.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.648 ' HB2' HG13 ' A' ' 12' ' ' VAL . 90.6 p -111.56 -130.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -133.83 14.33 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.081 HD23 HG11 ' A' ' 12' ' ' VAL . 3.9 pp -96.02 121.77 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -121.12 167.81 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' SER . 8.0 tt0 -69.58 136.68 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 98.63 -24.8 30.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.728 ' OD2' HD23 ' A' ' 87' ' ' LEU . 70.0 m-20 -40.0 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.55 103.49 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -75.83 133.0 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.7 -62.56 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.94 130.99 47.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.072 HG23 ' CD2' ' A' ' 85' ' ' LEU . 20.5 mt -89.27 108.59 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 68.58 7.75 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.48 21.98 6.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.9 p -121.76 103.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' VAL . 26.5 t-20 -40.31 145.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.9 p -115.73 -13.75 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -55.13 -22.91 18.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -102.49 -21.99 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.456 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -87.12 142.76 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 62.8 p -81.63 167.19 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -47.28 -53.15 14.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -60.55 -57.37 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 4.2 mm-40 -38.22 -61.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.22 -55.06 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' CG ' HD12 ' A' ' 24' ' ' LEU . 1.6 mt-30 -48.74 -43.32 37.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -26.02 53.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -70.64 -54.0 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 83' ' ' LEU . 65.4 mt -40.48 -49.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.25 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -48.69 -52.12 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.5 157.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.6 -88.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -56.19 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -143.06 151.65 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.6 tp -114.35 87.86 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.9 m -81.39 144.04 31.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.072 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.9 mt -143.97 131.52 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 87' ' ' LEU . 60.8 m -101.49 114.79 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.9 172.35 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.03 137.82 31.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 111.55 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -177.91 112.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 p -89.11 123.17 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.85 177.58 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 p -144.21 156.11 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.96 HG11 HD23 ' A' ' 50' ' ' LEU . 5.9 t -115.43 147.93 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.0 m -127.12 96.58 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 50' ' ' LEU . 8.1 mt -101.1 150.79 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.4 m -106.83 141.33 38.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -105.47 151.19 17.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.5 Cg_endo -74.98 143.22 77.13 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.029 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.05 -89.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.5 Cg_endo -74.97 174.28 53.46 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.037 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.3 m95 -90.14 97.51 11.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' ILE . . . -81.15 51.93 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.7 p90 -145.16 131.13 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 18.3 mmt180 -101.38 160.08 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 34' ' ' LEU . 52.5 mt -99.97 150.81 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -120.52 164.43 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.14 -144.95 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' MET . . . 138.48 -179.46 18.39 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -61.92 -35.43 78.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.77 3.76 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.93 19.72 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLY . 68.1 mtp -114.14 158.39 39.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.18 12.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.66 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.869 HG22 HD12 ' A' ' 55' ' ' LEU . 5.2 p -113.74 158.62 20.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 14.5 mm -68.97 97.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 28.8 t -46.0 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 166.58 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 63.6 mt -138.93 139.54 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 m -84.92 137.5 37.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.89 -24.11 8.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.7 p -72.59 161.19 31.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -35.72 60.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.921 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -60.22 -26.46 66.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 17.07 22.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -136.69 11.09 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -112.83 -129.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -130.89 6.39 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HG11 ' A' ' 12' ' ' VAL . 3.6 pp -93.55 121.79 35.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -120.59 173.17 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.04 136.55 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.44 -25.07 29.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.641 ' OD2' HD23 ' A' ' 87' ' ' LEU . 88.7 m-20 -40.12 156.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.869 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.44 103.2 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -75.08 132.41 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.22 -63.78 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -126.34 140.6 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.049 ' O ' HG12 ' A' ' 62' ' ' VAL . 49.0 mt -97.71 107.39 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 2.4 t70 69.16 4.15 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.59 8.3 9.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.049 HG12 ' O ' ' A' ' 59' ' ' ILE . 9.4 p -112.01 108.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 13.5 t-20 -44.77 151.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' VAL . 57.5 p -114.11 -21.69 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 23.2 t0 -53.55 -21.67 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -96.89 -22.4 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 mtm -94.89 153.0 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -85.53 172.7 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -52.12 -52.29 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -59.02 -57.87 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -39.11 -61.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -48.12 -49.22 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -54.29 -53.54 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -34.64 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.83 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 83' ' ' LEU . 82.0 mt -52.58 -50.03 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -64.25 -48.52 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 t -40.74 -51.79 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.41 159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -139.86 -70.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -56.35 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.32 164.75 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 76' ' ' ILE . 17.8 tp -132.48 87.62 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 m -81.28 143.09 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.87 HD23 HG23 ' A' ' 59' ' ' ILE . 5.9 mt -142.11 122.45 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.515 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.5 m -92.52 116.94 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -107.47 172.41 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.64 129.23 22.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -67.5 117.04 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.94 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.8 OUTLIER -175.81 108.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.0 p -92.02 117.48 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 8.5 p90 -128.61 177.3 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -136.21 160.94 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -126.27 133.95 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.8 m -110.87 109.49 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.727 HD11 ' CD1' ' A' ' 50' ' ' LEU . 8.6 mt -114.22 108.85 17.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.6 m -71.41 128.07 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -93.97 155.07 21.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.1 Cg_endo -75.01 145.66 84.52 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.002 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.18 -85.29 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -74.93 174.05 54.63 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.009 -0.065 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -91.53 97.63 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.5 54.66 4.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.9 p90 -141.85 133.95 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -100.22 165.67 11.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 34' ' ' LEU . 31.9 mt -110.5 163.99 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -129.63 172.94 11.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -140.96 0.33 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.8 176.6 14.52 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -61.76 -39.56 92.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -43.71 94.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -84.61 6.6 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 52.0 34.93 14.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -134.0 163.38 51.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.71 102.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -115.87 158.72 22.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.781 HG21 HD11 ' A' ' 39' ' ' ILE . 19.3 mm -65.7 109.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -64.59 -69.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.52 163.9 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.781 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -140.48 142.42 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.2 m -84.08 143.19 42.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.99 120.49 6.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.4 -13.19 54.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -70.96 158.66 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -23.17 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.25 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.86 7.01 43.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -132.53 28.07 4.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -133.07 -104.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -145.14 15.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 87' ' ' LEU . 6.3 mt -94.67 121.83 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -127.95 156.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.27 110.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 124.07 -28.57 5.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD2' HD23 ' A' ' 87' ' ' LEU . 96.7 m-20 -38.62 156.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.47 112.67 24.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.5 t -82.14 129.39 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.02 -65.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -120.92 136.51 54.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.06 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.8 mt -101.18 107.66 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 23.0 t70 67.24 6.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.63 16.4 7.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.06 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.4 p -121.61 111.95 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -48.35 153.52 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' VAL . 70.8 p -115.17 -14.32 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -20.77 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -111.33 18.54 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 48.9 mtm -130.57 136.11 48.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 p -73.84 163.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -44.56 -50.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 70' ' ' LEU . 9.8 tp -59.65 -59.93 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -38.84 -56.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -53.28 -47.88 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.06 -45.49 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -33.82 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.751 ' HE3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -59.12 -38.85 80.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 83' ' ' LEU . 68.5 mt -57.94 -50.19 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -47.88 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.21 -56.22 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.23 161.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 -87.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.5 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -137.02 148.24 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 20' ' ' TRP . 14.5 tp -119.48 93.98 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.1 m -86.83 145.34 26.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 1.031 HD23 HG23 ' A' ' 59' ' ' ILE . 8.0 mt -144.12 123.28 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 46.0 m -92.18 119.47 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -108.07 171.95 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.63 142.18 32.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -88.84 118.6 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.025 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp -169.0 100.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -92.42 127.77 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.6 p90 -133.45 177.42 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 p -136.35 164.17 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.915 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.5 t -129.04 136.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.2 m -111.0 99.69 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.096 HD11 HD21 ' A' ' 50' ' ' LEU . 47.6 mt -102.4 99.43 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -63.9 140.53 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.47 154.7 17.5 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.97 143.83 79.06 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.008 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.77 -89.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.31 53.38 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.006 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.4 m95 -90.73 97.53 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.99 45.79 3.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.9 p90 -139.79 137.23 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -103.36 170.0 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.786 HD13 HD21 ' A' ' 34' ' ' LEU . 85.8 mt -108.76 152.43 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.8 OUTLIER -120.31 165.82 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.18 -147.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.07 174.56 13.41 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.98 74.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -39.61 78.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -99.61 -1.01 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 72.94 13.55 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.2 mtp -104.94 158.82 31.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.94 128.51 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.45 102.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.0 p -115.18 161.74 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.768 HG21 HD11 ' A' ' 39' ' ' ILE . 13.7 mm -69.31 97.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 2.7 t -46.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.33 166.42 27.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HG21 ' A' ' 36' ' ' ILE . 67.3 mt -139.89 139.42 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.54 143.86 48.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 119.75 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.07 -17.74 37.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -70.15 163.7 25.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -63.46 -31.32 72.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.846 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.0 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.48 -14.34 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -123.79 29.6 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 28.9 p -120.54 -85.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.72 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.096 HD21 HD11 ' A' ' 14' ' ' LEU . 3.6 pp -67.12 127.73 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -124.47 174.03 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.65 138.44 50.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.79 -31.0 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' OD2' HD23 ' A' ' 87' ' ' LEU . 76.3 m-20 -39.33 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -111.76 113.67 26.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 t -83.1 131.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.8 -60.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.05 136.47 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 62' ' ' VAL . 18.1 mt -96.83 107.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.1 t0 67.65 6.17 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.51 15.14 7.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.2 p -120.09 108.8 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.67 151.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 59' ' ' ILE . 28.3 p -118.59 -35.22 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -44.56 -30.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -86.93 -35.26 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.48 ' HE1' ' HD3' ' A' ' 75' ' ' LYS . 3.6 mtm -78.28 147.83 34.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 71' ' ' GLU . 68.8 p -77.33 160.87 28.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -42.0 -51.95 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 70' ' ' LEU . 12.0 tp -61.47 -56.36 21.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 68' ' ' THR . 3.1 mm-40 -38.96 -55.16 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -56.16 -46.2 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-30 -57.06 -39.56 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.65 -35.92 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.94 -53.34 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.45 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -49.64 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.04 148.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 -50.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.06 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -56.81 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -141.54 140.93 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 35.2 tp -99.27 86.29 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ASP . 2.2 m -85.05 141.31 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 59' ' ' ILE . 6.1 mt -143.1 134.55 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.502 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.9 m -104.15 116.2 31.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.78 171.71 7.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.71 141.05 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -70.88 116.12 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.944 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.71 113.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.751 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -89.65 124.7 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 6.3 p90 -133.55 177.56 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -140.73 160.95 38.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.835 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.2 t -125.91 136.81 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -103.45 96.7 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 ' CD1' ' A' ' 50' ' ' LEU . 36.7 mt -95.63 84.76 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.8 m -61.58 132.58 53.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -96.75 156.45 21.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.05 146.25 86.1 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.983 0.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.55 -93.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.93 174.43 52.67 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.004 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.0 m95 -92.92 97.97 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.89 37.22 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 4.3 p90 -128.74 138.28 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -103.35 169.39 8.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.793 HD13 HD21 ' A' ' 34' ' ' LEU . 72.1 mt -113.12 159.52 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -124.55 169.58 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -142.71 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.73 166.46 12.29 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -49.13 -37.07 20.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -85.9 9.14 17.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.84 21.13 3.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -117.2 163.2 24.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -74.98 128.18 11.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.793 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.15 102.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.9 p -115.61 158.21 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 39' ' ' ILE . 15.9 mm -65.22 104.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 12.9 t -58.52 -74.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 166.58 22.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 36' ' ' ILE . 79.9 mt -144.05 135.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -83.03 136.88 43.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.02 12.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.25 -14.05 66.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -78.39 173.98 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -40.54 92.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -61.86 -17.6 57.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.97 21.24 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -140.52 13.19 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.426 ' HB3' HG13 ' A' ' 12' ' ' VAL . 2.3 m -124.24 -136.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -113.7 -1.07 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HD21 ' A' ' 87' ' ' LEU . 5.4 mt -68.97 122.29 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -132.98 142.87 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.8 tt0 -56.49 124.2 17.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 109.6 -28.83 10.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.508 ' OD2' HD23 ' A' ' 87' ' ' LEU . 51.7 m-20 -38.99 156.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.608 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.98 113.95 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.58 131.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.5 -61.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 134.15 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.048 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.1 mt -96.2 107.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 42.6 t0 67.02 7.21 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.48 18.06 6.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -123.02 108.39 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 26.2 t-20 -44.05 152.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.8 p -115.93 -14.13 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 7.1 t0 -63.01 -14.94 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -110.93 -3.25 15.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mtm -110.37 133.71 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -69.57 162.98 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -44.48 -51.06 9.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.96 -58.93 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -39.42 -56.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -57.62 -46.61 83.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -65.25 -35.44 81.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 50.2 mt -63.89 -43.39 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -68.13 -42.43 80.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -47.67 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . . . -41.27 152.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -58.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -54.79 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 2.4 p30 -136.29 144.25 44.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 76' ' ' ILE . 7.4 tp -116.95 94.11 4.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -86.61 147.03 26.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 59' ' ' ILE . 11.2 mt -144.35 119.69 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.477 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.4 m -90.44 115.58 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.96 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -107.56 170.77 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.22 146.04 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 110.25 19.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.412 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 2.3 mtp -178.33 111.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -90.84 125.52 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.5 p90 -137.22 177.43 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -141.94 159.29 42.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.828 HG11 HD23 ' A' ' 50' ' ' LEU . 5.1 t -120.48 150.29 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.2 m -129.3 104.44 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -110.69 119.77 40.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.2 m -76.15 123.59 26.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -89.64 155.24 24.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.03 147.63 89.7 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.024 0.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.26 -88.16 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.502 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.2 53.93 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.991 0.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.629 ' CE2' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -91.06 97.55 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.91 52.82 4.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 1.4 p90 -143.23 133.9 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 0.801 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -101.29 170.27 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD11 HD11 ' A' ' 76' ' ' ILE . 25.9 mt -117.91 158.26 25.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 37' ' ' SER . 2.9 pt20 -131.01 167.34 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.72 -130.3 12.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.03 175.19 20.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -32.19 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.55 -46.31 88.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -92.37 21.49 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 47.0 33.41 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.0 163.46 43.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.95 14.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 102.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.879 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.1 p -116.47 164.08 15.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.643 HG21 HD11 ' A' ' 39' ' ' ILE . 5.2 mm -77.48 108.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -57.67 -63.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -148.78 170.82 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.732 HG23 ' HB3' ' A' ' 45' ' ' ALA . 69.6 mt -143.45 144.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -87.39 139.02 31.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.93 125.81 9.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.35 78.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.7 p -81.85 167.56 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -16.52 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.86 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -81.77 -20.35 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.78 8.79 31.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -117.42 -29.57 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 87.2 p -76.26 -127.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.83 10.3 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.86 HD11 ' HB1' ' A' ' 45' ' ' ALA . 3.8 pp -91.34 121.6 33.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.71 168.66 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' SER . 38.5 tt0 -72.76 130.1 39.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.25 -22.64 34.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -40.69 153.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.879 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -106.69 104.14 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.4 t -77.11 130.33 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.99 -59.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.48 136.76 46.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 62' ' ' VAL . 38.3 mt -95.35 107.62 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' SER . 10.6 t0 68.58 5.62 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 13.33 7.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -117.16 106.82 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 8.7 t-20 -42.49 149.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 43.8 p -114.23 -27.64 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.12 -37.84 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -80.31 -36.28 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.7 mtm -78.59 154.16 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -88.09 -164.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -70.14 -57.25 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.6 tp -58.85 -64.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.5 mm-40 -38.11 -54.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.25 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 mt-30 -57.83 -44.6 86.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.36 -26.83 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.537 ' CD ' HG11 ' A' ' 62' ' ' VAL . 1.7 tptp -71.51 -22.39 61.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 88.6 mt -77.02 -53.38 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -24.41 66.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -24.56 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.76 152.18 44.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 -64.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.09 -53.93 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.36 155.23 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.629 HD22 ' CE2' ' A' ' 20' ' ' TRP . 5.9 tp -124.22 106.89 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -98.89 145.54 26.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.978 HD23 HG23 ' A' ' 59' ' ' ILE . 8.6 mt -143.57 122.92 13.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.479 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.2 m -92.8 115.7 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -107.13 172.23 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.91 140.04 32.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -81.04 119.94 24.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.421 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -168.46 117.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 111.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -91.18 117.73 29.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 8.2 p90 -130.78 177.9 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.99 164.08 30.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 49' ' ' GLN . 61.3 t -126.08 148.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -117.49 96.41 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -100.17 92.36 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -66.51 141.51 57.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.82 154.87 17.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 143.99 79.54 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 110.993 0.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.23 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.989 0.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 14' ' ' LEU . 2.6 m95 -90.46 97.55 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.62 49.7 3.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 p90 -142.47 143.17 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.737 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -108.79 165.78 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 34' ' ' LEU . 64.9 mt -108.46 164.33 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -130.01 173.38 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.28 -144.88 0.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.21 171.69 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -56.34 -34.96 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -45.46 81.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.9 11.73 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 47.24 35.53 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmm -131.31 164.26 43.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.8 11.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.6 102.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.841 HG22 HD12 ' A' ' 55' ' ' LEU . 5.6 p -114.23 161.46 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.998 HG21 HD11 ' A' ' 39' ' ' ILE . 11.1 mm -70.97 97.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -72.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 164.21 32.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.998 HD11 HG21 ' A' ' 36' ' ' ILE . 67.0 mt -139.05 143.01 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -94.26 146.5 31.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.02 132.02 14.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.83 -45.46 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 p -49.22 170.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.5 mmmt -62.59 -38.65 90.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -55.08 -28.34 51.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.69 18.46 12.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -139.88 12.51 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HG13 ' A' ' 12' ' ' VAL . 83.3 p -123.11 -134.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.768 ' HB2' HG22 ' A' ' 12' ' ' VAL . 3.3 mt-30 -117.64 1.87 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' HG11 ' A' ' 12' ' ' VAL . 95.5 mt -68.55 128.03 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 31.5 m -140.32 146.69 38.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.83 119.92 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 113.62 -28.38 8.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 87.3 m-20 -39.17 154.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.83 104.62 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.93 132.04 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.91 -60.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.09 137.42 50.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 62' ' ' VAL . 19.9 mt -94.92 107.48 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 4.4 t0 68.38 5.78 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.16 12.73 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.9 p -116.82 106.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -40.8 156.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' VAL . 30.9 p -124.81 0.29 8.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -65.56 -44.98 85.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -82.13 -14.34 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -92.25 138.22 31.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -80.85 164.99 22.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -43.26 -49.81 6.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -62.46 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mm-40 -38.51 -56.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -55.25 -45.58 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' HD12 ' A' ' 24' ' ' LEU . 4.7 mt-30 -59.2 -39.01 81.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -31.54 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.23 -44.26 97.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 84.6 mt -51.25 -53.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.93 -36.9 84.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -50.95 47.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.57 152.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.3 m -136.29 -55.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -54.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.96 146.36 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.3 tp -113.66 84.31 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 2.7 m -80.06 142.66 34.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.948 HD23 HG23 ' A' ' 59' ' ' ILE . 8.2 mt -143.31 127.12 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 87' ' ' LEU . 18.2 m -96.72 116.08 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -108.05 172.72 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.5 128.34 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -71.62 110.34 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.79 106.39 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t 178.74 123.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.97 138.05 13.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -92.08 147.62 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -132.17 162.06 31.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.2 -44.3 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.55 104.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 p -88.78 124.57 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.84 177.47 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -138.84 161.33 37.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.3 t -129.13 138.65 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -111.79 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.773 HD11 ' CD1' ' A' ' 50' ' ' LEU . 46.0 mt -96.97 89.34 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 m -56.78 146.86 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -109.86 156.2 15.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -74.97 154.2 99.57 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.026 -0.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -76.75 -91.72 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.41 52.85 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.959 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 83' ' ' LEU . 2.1 m95 -89.19 97.41 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' THR . . . -87.01 52.72 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.158 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 3.2 p90 -144.81 135.49 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -103.26 164.48 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 HD21 ' A' ' 34' ' ' LEU . 76.7 mt -105.64 155.06 19.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -118.69 164.6 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.87 -140.94 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.06 -174.31 23.28 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -75.88 -41.24 52.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 11.2 p-10 -68.38 -10.3 54.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.9 -2.66 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.35 32.8 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.1 mtp -134.15 157.26 78.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 128.9 11.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.756 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.46 102.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 55' ' ' LEU . 9.1 p -113.52 162.4 16.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.909 HG21 HD11 ' A' ' 39' ' ' ILE . 11.6 mm -73.34 95.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 42.8 t -49.22 -71.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 170.19 16.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.909 HD11 HG21 ' A' ' 36' ' ' ILE . 95.3 mt -144.58 143.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.0 m -82.91 133.5 48.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.95 -5.42 42.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -81.33 168.78 18.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.51 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.8 16.66 18.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.32 16.87 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.45 ' HB2' HG13 ' A' ' 12' ' ' VAL . 80.6 p -125.03 -120.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -125.39 0.81 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD23 HD21 ' A' ' 87' ' ' LEU . 12.4 mt -73.32 126.77 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.0 m -139.2 150.39 45.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' SER . 3.6 tt0 -63.39 123.12 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.68 -25.85 16.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' HD23 ' A' ' 87' ' ' LEU . 83.1 m-20 -39.92 156.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.44 105.04 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -77.16 132.32 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.37 -52.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.69 146.79 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.117 HG23 ' CD2' ' A' ' 85' ' ' LEU . 90.6 mt -117.04 110.59 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 67.47 19.28 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.84 23.02 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 75' ' ' LYS . 43.1 t -129.23 111.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -46.19 158.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 33.4 p -114.33 -28.62 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -47.41 -25.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' THR . 8.3 t -97.51 -28.25 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.0 mtm -88.2 135.95 33.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -73.25 174.23 8.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -53.47 -47.53 69.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 70' ' ' LEU . 8.4 tp -63.59 -61.63 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -38.72 -58.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.79 55.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -46.83 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.363 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.64 -30.36 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -63.98 -39.13 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 52.9 mt -54.64 -45.18 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -46.15 71.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -47.03 -49.62 20.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.74 153.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.4 -89.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -53.64 13.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.44 155.59 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.4 tp -119.95 91.67 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.555 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.3 144.36 28.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.117 ' CD2' HG23 ' A' ' 59' ' ' ILE . 15.9 mt -147.98 118.12 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 5.0 m -90.13 117.82 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.82 172.36 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.9 142.7 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.99 110.3 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 59.65 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -122.12 165.73 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.6 123.3 4.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -93.35 70.36 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -145.1 173.08 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.95 -46.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -174.24 109.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.9 p -89.55 122.78 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.7 p90 -128.88 177.31 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -140.71 157.74 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.867 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.6 t -121.6 135.85 60.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 m -117.59 99.72 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -106.09 117.66 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.9 m -73.23 132.9 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.6 157.56 19.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 146.87 87.85 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.013 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -72.0 -82.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 174.22 53.85 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -92.51 97.9 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.58 47.37 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.2 p90 -134.29 136.08 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -103.14 169.96 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.77 HD22 HD23 ' A' ' 34' ' ' LEU . 48.3 mt -112.06 160.53 17.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.18 164.29 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.39 -139.3 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.47 172.54 13.18 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -33.22 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -48.22 73.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.07 -3.74 52.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.53 16.17 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -114.12 164.3 16.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.09 127.9 10.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.77 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.31 102.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -115.91 158.16 23.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.049 HG21 HD11 ' A' ' 39' ' ' ILE . 16.9 mm -65.83 96.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -71.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.18 161.41 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 36' ' ' ILE . 88.4 mt -137.88 141.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 41' ' ' PRO . 18.8 m -90.68 144.75 30.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.95 139.55 24.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 -44.17 2.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -48.51 173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.56 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.468 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -66.28 -25.16 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.12 16.25 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -138.25 11.26 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.0 p -120.67 -134.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.96 -5.26 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.978 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -68.77 121.92 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.9 m -131.76 146.5 52.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -60.03 124.49 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 107.99 -27.22 15.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG22 ' A' ' 35' ' ' THR . 80.3 m-20 -39.2 157.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.67 113.2 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -81.9 131.15 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.19 -48.14 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.68 153.56 50.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 75' ' ' LYS . 77.2 mt -119.88 110.47 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 6.6 t0 68.07 12.29 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.16 18.68 10.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 88.7 t -125.4 112.06 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 12.6 t-20 -42.35 157.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' VAL . 24.8 p -114.57 -27.13 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.52 -27.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -91.38 -33.8 15.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.3 mtm -81.75 151.29 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.4 p -88.05 -166.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.03 -58.04 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.4 tp -57.81 -62.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LEU . 4.4 mm-40 -36.66 -57.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.81 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.701 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -58.12 -51.23 70.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -28.32 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -64.08 -38.28 90.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.458 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -56.05 -50.74 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -44.19 96.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -44.12 -53.82 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.22 145.29 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m -130.99 -55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.7 -56.66 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.97 155.87 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 76' ' ' ILE . 32.6 tp -123.67 91.5 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.543 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -83.88 145.23 28.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 84' ' ' SER . 11.9 mt -146.6 118.49 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 38.5 m -90.49 114.32 26.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.978 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -107.72 169.79 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -134.59 137.15 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -67.08 110.59 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.965 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -95.55 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -134.29 109.96 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.37 142.26 3.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -107.6 121.64 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -158.89 168.76 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.75 -47.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -171.17 111.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -89.29 125.37 35.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.2 p90 -135.57 177.7 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 p -137.47 162.48 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.3 t -127.0 134.28 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -106.55 101.13 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.932 HD11 HD21 ' A' ' 50' ' ' LEU . 66.6 mt -107.4 103.93 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 145.69 54.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -112.72 158.02 14.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 145.58 84.31 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 -0.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.03 -86.89 0.12 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.494 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.59 51.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.958 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.57 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -91.38 97.69 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.88 53.33 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 2.4 p90 -142.21 134.12 27.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.71 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 34' ' ' LEU . 66.4 mt -112.75 158.16 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.02 169.61 11.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.06 -143.98 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 167.98 12.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.32 -30.83 12.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -45.73 63.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -85.06 7.5 21.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 54.46 20.64 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -118.53 163.32 26.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.98 127.31 10.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.45 102.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.8 p -113.43 159.3 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.881 HG21 HD11 ' A' ' 39' ' ' ILE . 13.0 mm -68.01 89.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.1 t -41.12 -65.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.08 168.99 22.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 36' ' ' ILE . 69.8 mt -141.31 146.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.58 141.94 45.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.05 121.19 6.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.7 -7.29 63.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -77.23 163.6 26.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -33.58 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.35 -21.02 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.59 -13.95 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.95 24.82 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 36.9 p -116.6 -87.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.29 -37.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.932 HD21 HD11 ' A' ' 14' ' ' LEU . 4.1 pp -66.85 121.65 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 174.18 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.63 139.94 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.32 -30.93 7.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.7 m-20 -39.65 157.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -110.82 114.26 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.6 t -83.87 130.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -49.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -137.43 149.44 46.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.065 HG23 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -117.31 110.72 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 67.76 17.84 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.73 21.35 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 75' ' ' LYS . 94.0 t -126.42 110.83 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -41.5 160.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' VAL . 60.0 p -120.85 -37.07 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -43.94 -32.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 t -81.75 -37.53 27.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' THR . 43.7 mtm -82.53 153.7 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -85.9 -171.36 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.78 -58.06 8.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLU . 6.7 tp -55.07 -66.36 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 12.2 mm-40 -35.8 -56.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.18 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.558 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.87 -40.9 73.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -35.63 76.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 62' ' ' VAL . 8.7 tptt -58.19 -35.24 71.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 24' ' ' LEU . 59.1 mt -60.75 -48.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -46.87 78.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.24 -52.05 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.92 154.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -135.32 -91.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -56.0 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -135.63 158.94 43.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 20' ' ' TRP . 15.7 tp -127.9 89.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -81.6 148.7 28.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.065 ' CD2' HG23 ' A' ' 59' ' ' ILE . 16.4 mt -148.7 122.44 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.517 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.5 m -92.76 117.63 30.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.517 HD12 ' C ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -108.72 171.16 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.54 132.64 35.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 104.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -146.48 129.39 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.54 143.29 50.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 93.51 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.24 -64.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.773 . . . . 0.0 109.965 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -116.86 -166.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.74 -44.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.15 117.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -91.04 122.29 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -137.41 177.63 7.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -141.8 158.93 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.951 HG21 ' HG ' ' A' ' 50' ' ' LEU . 11.2 t -121.84 138.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.2 m -115.41 95.62 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 44' ' ' LYS . 83.2 mt -100.91 103.12 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 2.4 m -64.84 142.47 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -106.48 154.79 16.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.04 147.47 89.3 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.61 -89.14 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.28 53.53 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.029 -0.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.425 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -91.35 97.86 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.27 56.75 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.5 p90 -146.03 133.98 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -97.39 170.34 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 34' ' ' LEU . 51.0 mt -112.81 154.93 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -123.54 172.76 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 35.17 -142.74 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.53 166.82 11.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -59.77 -26.61 65.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -43.65 97.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.24 3.81 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t30 69.64 15.31 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.2 mtp -104.54 157.26 34.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.08 12.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.39 103.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.808 ' CG2' HD12 ' A' ' 55' ' ' LEU . 4.6 p -118.06 163.81 16.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.895 HG21 HD11 ' A' ' 39' ' ' ILE . 10.2 mm -73.03 104.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -54.58 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.85 148.67 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 36' ' ' ILE . 79.5 mt -122.93 139.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -83.12 136.19 43.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.97 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.86 -2.95 17.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -88.81 167.49 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -63.99 -41.38 97.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.24 61.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB2' ' CG2' ' A' ' 39' ' ' ILE . . . -92.87 13.1 21.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.75 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.557 ' HB2' HG13 ' A' ' 12' ' ' VAL . 4.6 p -135.53 -106.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.485 ' HB2' HG22 ' A' ' 12' ' ' VAL . 5.9 mt-30 -142.15 13.94 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.951 ' HG ' HG21 ' A' ' 12' ' ' VAL . 1.8 mt -91.48 123.05 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -130.61 146.68 52.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.48 122.44 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 108.69 -22.14 26.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.736 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.3 m-20 -39.77 155.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.808 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.86 103.55 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 64' ' ' THR . 22.0 t -75.07 128.86 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -105.61 -53.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.35 143.15 43.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.027 HG23 HD23 ' A' ' 85' ' ' LEU . 97.8 mt -109.21 110.62 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 70.94 9.92 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 14.6 17.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HE2' ' A' ' 75' ' ' LYS . 3.9 t -120.03 110.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.474 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.0 t-20 -42.83 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' VAL . 56.9 p -115.29 -0.93 13.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 13.8 t0 -74.9 -3.22 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 -1.89 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.567 ' SD ' ' HB2' ' A' ' 72' ' ' ALA . 5.5 ptp -117.51 142.46 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -77.14 -166.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.95 -57.4 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLN . 13.3 tp -59.04 -56.85 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.42 -54.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.567 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -56.85 -47.34 80.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -54.49 -35.14 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -24.41 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.831 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -69.17 -35.78 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HD21 ' A' ' 83' ' ' LEU . 80.1 mt -57.42 -51.79 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.76 -41.36 98.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -42.68 -53.9 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.88 161.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -138.83 -80.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -56.92 9.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.516 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m120 -138.96 169.76 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 76' ' ' ILE . 31.0 tp -124.39 88.74 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.55 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.027 HD23 HG23 ' A' ' 59' ' ' ILE . 11.9 mt -142.8 119.8 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.6 m -90.75 115.19 27.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.66 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -143.62 132.41 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 6.4 mmtt -73.55 111.81 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.96 113.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -101.92 168.19 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.68 88.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -148.26 133.87 18.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -96.7 160.12 14.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.98 -43.02 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtp -175.5 102.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -90.35 128.19 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.62 177.4 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 p -133.26 164.21 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.825 HG11 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -130.03 145.71 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -112.39 95.75 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 21.4 mt -88.97 81.44 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -51.09 131.45 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.05 -177.32 33.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.96 -175.52 16.17 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.998 -0.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -54.16 -166.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 54.2 m95 -112.18 98.9 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -74.41 54.33 2.38 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 20' ' ' TRP . 1.6 p90 -158.07 131.58 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -108.31 168.48 9.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 34' ' ' LEU . 45.9 mt -111.37 159.83 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -126.67 167.75 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.88 -133.09 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.71 169.9 13.08 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.19 -39.46 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.45 -42.08 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -82.85 4.9 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 55.93 33.05 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.8 mmm -136.04 163.46 50.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.01 128.24 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.22 102.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.3 p -115.05 158.03 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 39' ' ' ILE . 16.5 mm -64.08 98.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.2 t -51.42 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 166.35 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.924 HD11 HG21 ' A' ' 36' ' ' ILE . 95.6 mt -143.07 139.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 41' ' ' PRO . 32.0 m -83.84 140.67 40.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.07 114.71 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.86 -23.08 10.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -67.76 168.98 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -23.14 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -76.63 -15.23 59.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -109.09 10.94 25.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.76 14.26 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.2 -124.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -120.21 -7.11 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.838 HD23 HD21 ' A' ' 87' ' ' LEU . 6.5 mt -69.01 127.12 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -136.55 144.59 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 37' ' ' SER . 4.8 tt0 -57.84 124.92 20.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 110.26 -29.35 9.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' OD2' HD23 ' A' ' 87' ' ' LEU . 45.1 m-20 -39.18 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.29 115.38 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.06 130.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.23 -51.06 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.25 146.64 46.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.098 HG23 ' CD2' ' A' ' 85' ' ' LEU . 30.8 mt -111.88 110.5 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 70.33 10.08 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.89 15.46 14.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.493 HG21 ' HE2' ' A' ' 75' ' ' LYS . 49.8 t -121.36 112.28 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -41.23 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 59' ' ' ILE . 38.2 p -118.75 -34.16 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -28.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -90.96 -34.13 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' THR . 26.2 mtm -84.0 139.7 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.4 p -73.33 -175.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.13 -38.07 87.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.636 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.7 -62.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mt-10 -38.17 -45.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB1' ' CD1' ' A' ' 59' ' ' ILE . . . -65.43 -44.14 88.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -64.36 -51.3 64.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.0 m-20 -52.65 -30.41 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HE2' HG21 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -63.91 -38.29 90.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.552 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 79.7 mt -55.46 -52.06 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -35.04 71.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -50.31 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.08 152.86 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -135.93 -74.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -56.19 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -138.85 144.62 39.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.449 HD21 ' CE2' ' A' ' 22' ' ' PHE . 2.7 tp -114.85 104.93 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -92.7 145.31 24.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.098 ' CD2' HG23 ' A' ' 59' ' ' ILE . 13.7 mt -145.95 121.68 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.8 m -91.02 118.41 30.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -107.61 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.43 136.22 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -71.98 118.89 15.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.27 -58.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -100.34 125.71 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.74 -138.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t 61.91 77.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -163.6 175.36 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.63 -44.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -165.19 104.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -94.21 126.46 39.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.7 p90 -132.0 177.34 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.6 p -136.65 162.68 32.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.96 HG21 ' HB3' ' A' ' 50' ' ' LEU . 8.2 t -123.5 140.4 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -116.33 101.29 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 50' ' ' LEU . 12.2 mt -102.33 99.44 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -62.06 130.48 45.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.494 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.25 152.38 21.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.01 142.28 74.27 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.972 0.045 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.77 -90.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.05 174.29 53.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 0.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -95.52 98.5 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 59.91 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 p90 -148.88 133.41 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -95.78 169.79 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 73' ' ' GLN . 78.1 mt -109.23 153.5 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.03 171.73 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.12 -136.21 0.97 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.73 159.43 12.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -46.95 -37.62 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.65 -48.43 81.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -91.32 19.68 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 43.97 36.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -128.99 163.32 46.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.22 13.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD21 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -59.37 102.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.823 ' CG2' HD12 ' A' ' 55' ' ' LEU . 2.6 p -115.29 167.17 11.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 39' ' ' ILE . 4.3 mm -79.83 93.42 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -42.19 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.42 165.36 36.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.873 HD11 HG21 ' A' ' 36' ' ' ILE . 37.8 mt -135.69 148.1 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.634 HG23 ' HD2' ' A' ' 41' ' ' PRO . 10.3 m -82.74 144.89 49.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.0 113.29 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.99 -22.86 22.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.8 p -63.8 156.88 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -57.06 -29.52 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.853 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.89 -32.7 74.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -95.62 -3.8 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.73 31.31 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 56.6 p -126.4 -84.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 48' ' ' SER . 12.4 mt-30 -166.55 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 14' ' ' LEU . 4.5 pp -66.49 121.78 16.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -118.17 174.52 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.25 143.9 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 89.62 -27.51 7.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.764 ' OD2' HD23 ' A' ' 87' ' ' LEU . 6.5 m-20 -39.57 155.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.823 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.5 OUTLIER -110.76 107.02 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.0 130.92 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.15 -42.87 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -141.25 156.13 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.821 HG23 ' CD2' ' A' ' 85' ' ' LEU . 73.0 mt -126.47 110.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' SER . 7.3 t0 72.12 11.23 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.94 15.78 19.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HE2' ' A' ' 75' ' ' LYS . 11.5 t -121.27 112.74 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 64' ' ' THR . 31.9 t-20 -48.47 148.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 22.8 p -105.3 9.78 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.516 ' C ' HG22 ' A' ' 66' ' ' THR . 12.3 t70 -81.4 58.27 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' C ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 170.44 -32.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.1 ptp -77.51 135.53 38.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -75.0 174.04 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -50.47 -50.97 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.41 -60.96 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-10 -38.54 -43.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -67.23 -42.89 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.786 ' HG2' HD12 ' A' ' 24' ' ' LEU . 6.1 mt-30 -64.3 -49.23 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.2 m-20 -56.95 -29.9 63.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HE2' HG11 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -62.11 -35.17 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -58.93 -52.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -44.92 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.4 t -41.32 -53.88 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.4 155.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 m -132.39 -80.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -55.92 -56.84 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -139.35 162.91 33.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' A' ' 76' ' ' ILE . 22.8 tp -123.19 88.25 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -80.32 144.39 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.821 ' CD2' HG23 ' A' ' 59' ' ' ILE . 8.3 mt -143.97 135.22 25.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 20.4 m -104.89 115.15 29.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.764 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -107.72 171.96 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.76 142.95 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -71.33 116.4 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p -145.15 -58.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -157.75 95.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.72 63.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.56 87.69 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -91.61 164.81 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.03 -40.14 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.1 103.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -88.26 122.97 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.9 p90 -132.08 177.55 7.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -136.71 169.57 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.056 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 50' ' ' LEU . 26.2 t -131.44 146.14 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -128.5 95.72 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.6 mt -101.51 109.45 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -68.0 127.2 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.43 152.6 22.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 144.33 80.62 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.996 0.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.34 -86.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.37 53.06 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -93.82 98.22 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 58.56 3.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p90 -145.72 136.12 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -96.82 170.08 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 34' ' ' LEU . 76.0 mt -114.35 156.84 23.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.54 170.5 11.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.74 -147.24 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.15 166.68 11.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.86 -30.85 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -45.82 82.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.63 -0.36 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.81 22.38 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.83 164.37 17.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.03 128.07 11.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -60.06 102.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -116.39 164.37 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.787 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -73.47 105.95 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 168.69 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -142.78 138.81 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -89.35 138.17 28.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.03 -21.76 32.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -69.43 178.66 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -63.69 -23.71 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.42 15.89 18.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -138.77 11.88 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -122.28 -138.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -118.99 20.66 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.023 HD23 HD21 ' A' ' 87' ' ' LEU . 3.8 mt -91.13 122.11 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -128.93 142.69 50.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.63 121.88 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.99 -27.39 10.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 87' ' ' LEU . 63.8 m-20 -39.19 156.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.63 112.7 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG12 HG21 ' A' ' 64' ' ' THR . 31.6 t -80.42 130.1 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.26 -44.48 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 64' ' ' THR . . . -140.65 155.67 46.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.797 HG23 ' CD2' ' A' ' 85' ' ' LEU . 57.8 mt -127.13 110.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 t0 71.06 11.22 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.3 16.23 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.581 HG11 ' CE ' ' A' ' 75' ' ' LYS . 15.6 t -122.48 113.08 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.6 t-20 -43.18 162.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 67' ' ' MET . 73.1 p -121.97 12.93 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 6.5 t70 -90.16 15.98 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -147.47 19.46 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.618 ' HE3' HG22 ' A' ' 64' ' ' THR . 19.4 ptp -131.92 138.16 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -77.38 159.96 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -40.03 -57.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLU . 13.2 tp -56.73 -58.67 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mm-40 -37.18 -56.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -54.54 -51.04 66.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -50.18 -38.05 37.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -32.26 73.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' HG21 ' A' ' 59' ' ' ILE . 2.9 tptt -60.01 -30.19 68.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.89 -51.18 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -65.65 -42.91 90.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -45.14 -51.52 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.46 155.2 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -131.93 -89.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.89 -56.74 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.45 159.06 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD11 HD21 ' A' ' 85' ' ' LEU . 20.7 tp -121.73 93.25 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -82.81 144.03 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.797 ' CD2' HG23 ' A' ' 59' ' ' ILE . 14.2 mt -147.65 119.58 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.52 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.6 m -90.83 118.56 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.023 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.83 171.08 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.8 130.56 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -65.66 112.11 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -166.4 155.84 11.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -157.6 141.77 16.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.69 -102.77 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.72 159.66 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 59.13 156.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.54 -45.13 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.65 108.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -96.41 128.64 43.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.0 p90 -133.85 177.02 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.9 p -135.52 163.82 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.874 HG11 HD23 ' A' ' 50' ' ' LEU . 3.4 t -128.1 134.88 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 m -104.45 110.48 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 50' ' ' LEU . 34.7 mt -109.51 94.68 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -67.51 126.08 28.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.02 156.08 25.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.06 137.45 50.4 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.987 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.2 -92.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.03 174.47 52.55 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.625 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.2 m95 -90.96 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.26 50.84 4.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p90 -144.57 131.01 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 2.3 mtm180 -96.57 168.94 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 73' ' ' GLN . 63.2 mt -111.65 158.83 18.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -130.02 172.02 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.55 -145.63 0.12 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.2 176.78 14.58 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -58.09 -31.91 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.62 -45.02 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -88.61 17.89 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 41.07 32.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 mmm -128.89 162.85 49.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.78 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.883 HG22 HD12 ' A' ' 55' ' ' LEU . 4.2 p -113.41 158.0 21.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 39' ' ' ILE . 10.8 mm -68.13 98.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 10.9 t -48.04 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.08 172.22 13.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 36' ' ' ILE . 69.6 mt -142.39 140.94 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 41' ' ' PRO . 4.3 m -85.24 140.86 36.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.96 116.72 4.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.61 -36.09 4.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.1 p -54.3 162.09 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -24.15 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.931 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.19 -31.46 71.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.61 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -137.31 11.01 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -113.27 -132.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.24 4.08 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD11 ' HB1' ' A' ' 45' ' ' ALA . 2.7 pp -90.55 124.41 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -123.36 174.02 7.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.96 132.59 40.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.78 -25.32 27.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.718 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.6 m-20 -40.17 155.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.883 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.63 104.15 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.75 132.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.23 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.85 131.47 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.074 HG23 HD23 ' A' ' 85' ' ' LEU . 30.8 mt -89.48 108.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.9 t0 68.9 7.22 6.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.85 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.047 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -120.5 103.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.6 t-20 -39.75 146.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 50.9 p -117.54 -8.86 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 3.0 m-20 -58.99 -24.27 62.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 t -101.15 -20.3 15.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.447 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.2 mtm -88.9 140.31 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.8 p -82.59 164.3 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.17 -56.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.603 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.5 tp -56.29 -59.32 5.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.71 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.81 -52.71 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.8 mt-30 -52.13 -45.44 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.87 -32.87 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE2' HG11 ' A' ' 62' ' ' VAL . 8.6 tptt -60.68 -51.87 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 22' ' ' PHE . 32.6 mt -41.67 -48.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -48.55 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -39.21 -49.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.85 150.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.26 -57.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -55.09 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.15 138.07 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 20' ' ' TRP . 19.6 tp -104.26 90.11 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.5 m -86.28 145.1 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.074 HD23 HG23 ' A' ' 59' ' ' ILE . 6.4 mt -142.71 128.02 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.494 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.9 m -97.52 114.3 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.718 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -106.2 171.44 7.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.16 141.33 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -68.4 125.22 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -143.1 164.17 30.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -153.56 169.87 22.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.22 150.4 6.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -124.69 87.83 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -168.86 -176.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -44.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -169.48 115.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -89.05 128.15 35.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -141.62 177.95 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -141.8 165.37 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.824 HG21 ' HG ' ' A' ' 50' ' ' LEU . 8.5 t -129.91 138.07 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -109.37 97.73 7.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 50' ' ' LEU . 99.0 mt -102.62 97.05 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.0 m -68.05 139.05 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.487 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.11 160.06 16.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 135.95 42.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.01 -0.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -57.66 -89.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.4 52.87 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.518 ' CD1' HG22 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -91.81 97.91 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.87 54.67 3.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 6.2 p90 -143.09 133.59 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.19 169.68 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 34' ' ' LEU . 20.4 mt -122.06 161.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' NE2' ' O ' ' A' ' 36' ' ' ILE . 1.2 pt20 -131.21 172.77 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.99 -136.38 10.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 168.89 19.51 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 -33.98 40.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.69 -47.08 85.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -92.71 24.61 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 42.01 32.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -127.23 163.11 44.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.31 15.28 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.567 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.846 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.7 p -116.69 166.04 12.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 39' ' ' ILE . 10.1 mm -77.99 116.38 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 11.3 t -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 163.7 29.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 36' ' ' ILE . 94.0 mt -142.82 135.25 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.688 HG23 ' HD2' ' A' ' 41' ' ' PRO . 6.3 m -84.42 145.47 45.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.0 137.63 21.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.34 -28.32 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.5 p -62.34 164.48 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.667 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.28 -27.97 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -70.51 -19.12 62.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.66 16.79 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -135.59 9.72 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.47 ' HB2' HG13 ' A' ' 12' ' ' VAL . 84.1 p -121.2 -134.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB2' HG22 ' A' ' 12' ' ' VAL . 1.9 mt-30 -114.1 -3.76 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 87' ' ' LEU . 4.1 mt -68.78 122.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -131.04 156.78 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.9 tt0 -70.12 117.76 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.17 -21.89 16.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.667 ' OD2' HD23 ' A' ' 87' ' ' LEU . 79.4 m-20 -40.22 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.846 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -113.81 102.58 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.5 131.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.1 -62.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -131.49 132.8 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.035 ' O ' HG12 ' A' ' 62' ' ' VAL . 44.4 mt -91.15 108.3 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.4 t0 69.12 6.94 5.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.84 20.16 6.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -120.52 104.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' VAL . 25.5 t-20 -40.33 146.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' MET . 43.3 p -113.58 -20.28 11.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.35 -30.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -93.45 -30.85 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' THR . 1.4 mtm -81.89 122.27 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.6 p -66.78 -174.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -59.0 -49.53 77.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.9 tp -65.82 -57.31 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -43.09 -53.64 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.04 -28.92 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -23.74 59.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -71.61 -29.02 64.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TRP . 68.8 mt -65.9 -48.1 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -45.07 91.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -43.66 -48.09 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.2 147.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -127.57 -71.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.3 -53.0 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -137.48 173.32 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 76' ' ' ILE . 10.1 tp -141.31 94.24 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.4 m -87.78 145.9 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 59' ' ' ILE . 6.3 mt -141.91 130.03 22.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.486 ' C ' HD12 ' A' ' 87' ' ' LEU . 19.7 m -100.99 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.03 171.59 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.35 135.16 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 9.2 mmtt -74.48 116.24 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -46.73 117.7 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -58.75 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.22 167.73 5.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.4 152.9 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.42 -171.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.64 -47.6 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -175.92 110.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 p -86.15 132.8 33.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 p90 -144.05 177.72 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -141.28 165.0 28.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.887 HG11 ' CD2' ' A' ' 50' ' ' LEU . 11.3 t -127.67 146.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -118.23 97.77 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -100.87 108.45 20.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -74.69 134.34 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -98.22 153.88 20.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.99 150.61 95.73 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 -0.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -73.01 -89.49 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.38 53.0 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.3 m95 -91.9 97.78 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.7 53.05 4.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 3.1 p90 -142.81 138.46 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.05 169.7 8.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' A' ' 34' ' ' LEU . 18.6 mt -115.16 154.75 28.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -122.83 170.49 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.08 -140.6 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.82 167.66 12.41 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -50.6 -43.96 56.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -84.83 9.16 14.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 49.93 25.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mmm -126.11 163.7 38.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.35 11.38 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.905 HG22 HD12 ' A' ' 55' ' ' LEU . 3.3 p -112.81 158.53 20.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.123 HG21 HD11 ' A' ' 39' ' ' ILE . 9.7 mm -68.87 92.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -41.77 -66.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 158.16 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 1.123 HD11 HG21 ' A' ' 36' ' ' ILE . 24.2 mt -133.28 146.7 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.707 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -82.8 145.23 49.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.94 127.07 10.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.7 -19.46 54.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.5 p -63.57 161.21 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -60.08 -47.26 86.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -52.2 -35.53 49.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -93.23 18.79 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.9 mt-30 -139.74 12.3 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -112.15 -74.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 48' ' ' SER . 5.1 mt-30 -172.93 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.887 ' CD2' HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -63.58 124.69 22.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.4 m -124.77 174.34 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -73.48 125.87 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.05 -28.89 9.31 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -39.75 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.905 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -109.13 104.04 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.6 t -77.07 131.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -57.38 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -127.31 147.91 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.081 HG23 ' CD2' ' A' ' 85' ' ' LEU . 83.9 mt -116.99 110.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 68.15 21.36 8.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 24.48 20.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HE2' ' A' ' 75' ' ' LYS . 20.0 t -130.29 110.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 9.7 t-20 -47.19 157.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' VAL . 69.2 p -118.57 -8.71 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 10.6 t0 -62.22 -17.69 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 12.0 mtm -88.57 142.3 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -79.1 173.55 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -51.73 -57.2 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -53.15 -59.86 4.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -38.65 -63.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.35 -50.88 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -58.09 -44.22 87.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -32.32 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.588 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.41 -42.06 95.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 83' ' ' LEU . 70.8 mt -52.14 -47.65 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -68.5 -53.12 25.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -50.48 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -131.19 -88.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -56.89 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.55 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 76' ' ' ILE . 30.2 tp -134.68 89.61 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -80.05 147.42 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.081 ' CD2' HG23 ' A' ' 59' ' ' ILE . 17.1 mt -147.27 124.77 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.495 ' C ' HD12 ' A' ' 87' ' ' LEU . 32.7 m -96.76 114.88 26.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -105.43 171.42 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.31 130.74 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.89 103.72 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -172.98 136.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 158.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -123.19 0.3 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.82 89.53 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.777 . . . . 0.0 109.975 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -141.54 154.98 45.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.61 -38.34 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.414 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.5 OUTLIER 177.08 101.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -87.86 128.55 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.66 177.33 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -136.7 163.16 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.878 HG21 ' HG ' ' A' ' 50' ' ' LEU . 24.7 t -127.54 149.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -130.15 95.52 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 50' ' ' LEU . 20.9 mt -100.23 102.12 13.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.8 m -63.25 140.51 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -102.81 152.92 18.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.03 144.7 81.75 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.969 0.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.58 -90.02 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.566 1.167 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.33 53.27 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.976 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.448 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.1 m95 -93.94 98.51 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.65 56.55 3.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p90 -149.78 134.25 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -99.69 168.21 10.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.913 HD12 ' HG2' ' A' ' 73' ' ' GLN . 64.4 mt -111.1 159.48 17.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -127.14 172.83 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -147.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.6 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -34.41 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.08 -45.13 67.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -82.11 4.86 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.86 23.28 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -123.98 163.3 36.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.8 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.911 HG22 HD12 ' A' ' 55' ' ' LEU . 6.3 p -114.41 161.71 17.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -70.96 98.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 15.6 t -49.93 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.66 164.73 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 36' ' ' ILE . 97.4 mt -140.54 138.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 41' ' ' PRO . 27.5 m -88.22 139.66 30.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.01 133.5 16.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -15.78 61.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.7 p -77.54 163.12 26.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.4 -24.55 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.566 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -73.86 -25.66 60.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.26 18.28 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -140.18 12.79 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -122.43 -139.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -118.4 24.78 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.047 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -98.78 125.0 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m -136.79 152.76 50.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.76 124.0 19.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.6 -26.92 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.504 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -41.56 155.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.774 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.911 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.21 104.07 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.7 t -76.31 132.8 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.3 -65.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -123.7 145.87 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 85' ' ' LEU . 96.5 mt -110.27 110.63 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.5 t0 64.85 17.44 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.54 19.46 15.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 58.7 t -123.13 108.45 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -47.67 150.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 57' ' ' VAL . 41.8 p -114.43 -16.79 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -23.45 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -98.73 -19.82 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 15.6 mtm -96.85 147.12 24.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.0 p -73.16 -178.46 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.58 -55.34 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -55.8 -57.94 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.7 mm-40 -36.99 -59.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -51.41 -43.33 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.913 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.4 mt-30 -64.29 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 1.039 ' ND2' HD21 ' A' ' 70' ' ' LEU . 5.8 m-20 -46.69 -33.05 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -39.66 82.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' GLN . 77.3 mt -55.1 -48.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.04 -43.9 94.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -44.8 -46.9 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.73 152.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -91.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.044 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -56.07 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -136.3 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' ' 20' ' ' TRP . 4.8 tp -136.12 109.69 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -99.06 140.95 32.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.976 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 59' ' ' ILE . 9.4 mt -143.78 119.9 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.522 ' C ' HD12 ' A' ' 87' ' ' LEU . 23.4 m -92.3 119.99 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.047 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -109.28 171.79 7.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.95 131.27 25.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 8' ' ' MET . 43.5 mmtt -67.58 120.74 14.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -107.67 113.77 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.05 150.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.84 93.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.21 114.48 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -116.37 -171.43 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.46 -44.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.48 111.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 p -90.46 126.25 35.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 p90 -135.96 177.68 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -143.24 154.35 43.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.941 HG11 HD23 ' A' ' 50' ' ' LEU . 4.5 t -115.33 137.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -116.0 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 50' ' ' LEU . 14.9 mt -105.9 117.84 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.3 m -75.16 133.49 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -97.41 151.72 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 147.53 89.51 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.039 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.75 -85.67 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.03 174.28 53.5 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.957 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.432 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -92.57 97.75 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.45 55.66 4.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p90 -144.87 137.83 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -104.73 168.79 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.689 HD22 HD23 ' A' ' 34' ' ' LEU . 16.7 mt -110.41 163.96 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -131.6 167.9 18.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -138.8 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ASN . . . 122.95 172.4 13.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -35.94 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -46.94 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.2 2.24 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLY . 41.3 m-20 59.54 20.13 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.07 164.52 18.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 128.06 11.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.38 102.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -114.34 157.26 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.878 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -66.04 98.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.9 t -50.12 -72.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 168.97 18.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.878 HD11 HG21 ' A' ' 36' ' ' ILE . 68.2 mt -142.13 136.69 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 41' ' ' PRO . 13.8 m -85.06 144.92 42.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.97 129.54 12.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.42 -37.65 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -52.06 166.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -23.86 67.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.941 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.5 -31.59 70.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 21.54 10.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.04 12.06 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' HD21 ' A' ' 14' ' ' LEU . 84.9 p -119.52 -134.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.64 4.54 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.941 HD23 HG11 ' A' ' 12' ' ' VAL . 3.8 pp -89.19 122.79 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 m -121.92 174.0 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 37' ' ' SER . 7.9 tt0 -75.37 136.28 40.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.25 -27.68 18.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.569 ' OD2' HD23 ' A' ' 87' ' ' LEU . 61.7 m-20 -39.82 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.07 112.06 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 37.0 t -81.59 131.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.94 -63.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -128.9 133.07 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.085 HG23 HD23 ' A' ' 85' ' ' LEU . 59.8 mt -94.97 108.41 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 27.9 t0 67.55 7.77 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.56 21.22 6.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.4 p -123.92 107.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -41.03 152.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.45 ' CG2' HG13 ' A' ' 59' ' ' ILE . 68.7 p -118.26 -37.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.75 -36.05 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.04 -36.33 30.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 mtm -78.84 154.62 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 79.1 p -84.44 172.48 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -55.04 -54.37 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.7 tp -56.42 -56.08 25.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 14.6 mm-40 -40.48 -64.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.3 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 4.3 mt-30 -49.93 -45.78 51.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -30.17 69.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -36.53 83.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.677 HG23 ' CD2' ' A' ' 83' ' ' LEU . 79.8 mt -58.16 -50.98 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -65.32 -48.56 72.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -40.43 -55.08 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.04 152.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m -127.91 -86.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.79 ' HB3' HD21 ' A' ' 82' ' ' ASN . 0.3 OUTLIER -47.03 -56.76 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.79 HD21 ' HB3' ' A' ' 81' ' ' TYR . 0.8 OUTLIER -140.41 169.69 17.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.677 ' CD2' HG23 ' A' ' 76' ' ' ILE . 26.2 tp -126.91 91.42 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.7 m -82.65 142.78 31.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.085 HD23 HG23 ' A' ' 59' ' ' ILE . 11.1 mt -144.65 118.5 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.499 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.8 m -89.71 116.76 28.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.433 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -108.29 171.12 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.62 140.33 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 109.14 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 86.31 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.72 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.94 160.07 12.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.12 77.21 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -107.68 160.86 15.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.59 -44.26 0.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -170.2 102.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -89.93 128.4 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.2 p90 -135.49 177.5 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.7 p -137.46 162.05 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.792 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.8 t -122.58 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.2 m -117.58 96.22 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.003 HD11 ' CD1' ' A' ' 50' ' ' LEU . 27.6 mt -100.8 98.72 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 m -68.11 135.84 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.93 153.46 19.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -74.98 143.86 79.16 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.975 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -65.41 -88.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.97 174.31 53.34 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CE3' HD23 ' A' ' 83' ' ' LEU . 1.1 m95 -91.25 97.68 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 46.85 3.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.7 p90 -136.97 149.09 47.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -115.19 169.89 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.82 HD22 HD23 ' A' ' 34' ' ' LEU . 39.0 mt -114.43 164.12 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -130.09 170.56 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.35 -140.59 0.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.56 12.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -35.63 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.73 -46.6 78.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -86.85 14.69 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 46.18 34.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.97 163.54 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.1 Cg_endo -75.03 128.44 11.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.82 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.97 102.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -115.17 157.24 23.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 HD11 ' A' ' 39' ' ' ILE . 17.6 mm -64.17 104.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.3 t -58.15 -75.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 167.41 20.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.795 HD11 HG21 ' A' ' 36' ' ' ILE . 79.1 mt -143.93 133.24 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.3 m -84.08 143.91 43.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 135.54 19.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.36 -29.62 8.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 p -56.89 170.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -27.61 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.18 -22.7 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.78 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.56 10.17 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 49' ' ' GLN . 51.7 p -119.32 -135.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 48' ' ' SER . 11.9 mt-30 -113.35 -2.8 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.003 ' CD1' HD11 ' A' ' 14' ' ' LEU . 15.3 mt -69.48 122.2 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -133.5 150.57 51.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.5 tt0 -63.58 121.94 15.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.62 -29.18 8.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.2 m-20 -38.83 155.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.87 114.86 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.67 131.17 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.98 -63.62 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.25 133.28 46.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.088 HG23 HD23 ' A' ' 85' ' ' LEU . 44.8 mt -92.44 108.16 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 14.8 t0 68.24 7.32 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.67 21.53 6.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.1 p -122.85 106.63 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.8 t-20 -39.49 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.466 HG21 HG13 ' A' ' 59' ' ' ILE . 63.0 p -114.99 -32.8 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -36.38 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -81.06 -32.26 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 3.5 mtm -81.41 154.88 26.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -85.11 -179.85 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -61.13 -52.14 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.47 -58.08 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -38.59 -59.33 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.23 61.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -61.15 -37.34 82.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -61.55 -43.13 99.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 78.7 mt -51.7 -50.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -44.77 89.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -46.18 -46.74 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.75 148.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t -137.18 -50.12 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.77 -55.06 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -139.16 147.19 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' CE3' ' A' ' 20' ' ' TRP . 22.6 tp -116.25 85.99 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.1 m -82.22 146.05 29.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.088 HD23 HG23 ' A' ' 59' ' ' ILE . 10.4 mt -144.73 119.74 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 63.1 m -89.79 118.49 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.992 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.38 172.11 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.04 133.36 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -68.28 122.5 18.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m 62.31 106.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 144.12 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.29 100.37 1.07 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -119.75 126.27 50.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -47.78 163.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.66 -41.6 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttp 179.25 105.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -88.35 123.49 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.6 p90 -132.91 177.7 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -137.57 169.73 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 1.081 HG11 HD23 ' A' ' 50' ' ' LEU . 39.4 t -130.31 151.13 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -127.3 101.5 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 mt -107.27 102.98 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -68.37 131.0 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.515 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.34 150.52 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.03 146.4 86.53 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.006 0.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.98 -89.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.01 174.14 54.25 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.978 0.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.4 m95 -90.7 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.99 50.82 3.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 p90 -144.22 130.27 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.21 170.24 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 73' ' ' GLN . 37.3 mt -112.25 160.27 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -128.94 171.75 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.22 -141.08 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.58 163.25 11.7 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.08 -34.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.99 -46.46 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -89.73 20.46 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 41.03 35.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.2 mmm -132.27 163.1 52.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 55' ' ' LEU . 4.1 p -113.59 159.46 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 8.5 mm -71.3 101.27 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.0 t -50.17 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' HD2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -142.68 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 73.1 mt -138.68 139.4 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -87.76 132.97 38.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.66 -22.67 5.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 p -74.96 169.36 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.52 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.044 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.48 -20.45 66.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.51 16.87 23.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -136.08 10.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.648 ' HB2' HG13 ' A' ' 12' ' ' VAL . 90.6 p -111.56 -130.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -133.83 14.33 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.081 HD23 HG11 ' A' ' 12' ' ' VAL . 3.9 pp -96.02 121.77 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -121.12 167.81 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' SER . 8.0 tt0 -69.58 136.68 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 98.63 -24.8 30.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.728 ' OD2' HD23 ' A' ' 87' ' ' LEU . 70.0 m-20 -40.0 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.55 103.49 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -75.83 133.0 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.7 -62.56 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.94 130.99 47.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.072 HG23 ' CD2' ' A' ' 85' ' ' LEU . 20.5 mt -89.27 108.59 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 68.58 7.75 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.48 21.98 6.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.9 p -121.76 103.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' VAL . 26.5 t-20 -40.31 145.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.9 p -115.73 -13.75 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -55.13 -22.91 18.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -102.49 -21.99 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.456 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -87.12 142.76 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 62.8 p -81.63 167.19 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -47.28 -53.15 14.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -60.55 -57.37 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 4.2 mm-40 -38.22 -61.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.22 -55.06 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' CG ' HD12 ' A' ' 24' ' ' LEU . 1.6 mt-30 -48.74 -43.32 37.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -26.02 53.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -70.64 -54.0 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 83' ' ' LEU . 65.4 mt -40.48 -49.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.25 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -48.69 -52.12 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.5 157.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.6 -88.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -56.19 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -143.06 151.65 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.6 tp -114.35 87.86 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.9 m -81.39 144.04 31.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.072 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.9 mt -143.97 131.52 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 87' ' ' LEU . 60.8 m -101.49 114.79 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.9 172.35 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.03 137.82 31.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 111.55 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.02 121.46 42.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -94.35 -57.94 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.53 117.47 4.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -174.22 -58.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 p -152.01 177.13 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.57 -45.23 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -177.91 112.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 p -89.11 123.17 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.85 177.58 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 p -144.21 156.11 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.96 HG11 HD23 ' A' ' 50' ' ' LEU . 5.9 t -115.43 147.93 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.0 m -127.12 96.58 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 50' ' ' LEU . 8.1 mt -101.1 150.79 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.4 m -106.83 141.33 38.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -105.47 151.19 17.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.5 Cg_endo -74.98 143.22 77.13 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.029 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.05 -89.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.5 Cg_endo -74.97 174.28 53.46 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.037 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.3 m95 -90.14 97.51 11.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' ILE . . . -81.15 51.93 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.7 p90 -145.16 131.13 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 18.3 mmt180 -101.38 160.08 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 34' ' ' LEU . 52.5 mt -99.97 150.81 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -120.52 164.43 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.14 -144.95 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' MET . . . 138.48 -179.46 18.39 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -61.92 -35.43 78.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.77 3.76 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.93 19.72 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLY . 68.1 mtp -114.14 158.39 39.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.18 12.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.66 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.869 HG22 HD12 ' A' ' 55' ' ' LEU . 5.2 p -113.74 158.62 20.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 14.5 mm -68.97 97.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 28.8 t -46.0 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 166.58 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 63.6 mt -138.93 139.54 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 m -84.92 137.5 37.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.89 -24.11 8.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.7 p -72.59 161.19 31.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -35.72 60.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.921 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -60.22 -26.46 66.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 17.07 22.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -136.69 11.09 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -112.83 -129.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -130.89 6.39 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HG11 ' A' ' 12' ' ' VAL . 3.6 pp -93.55 121.79 35.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -120.59 173.17 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.04 136.55 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.44 -25.07 29.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.641 ' OD2' HD23 ' A' ' 87' ' ' LEU . 88.7 m-20 -40.12 156.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.869 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.44 103.2 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -75.08 132.41 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.22 -63.78 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -126.34 140.6 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.049 ' O ' HG12 ' A' ' 62' ' ' VAL . 49.0 mt -97.71 107.39 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 2.4 t70 69.16 4.15 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.59 8.3 9.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.049 HG12 ' O ' ' A' ' 59' ' ' ILE . 9.4 p -112.01 108.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 13.5 t-20 -44.77 151.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' VAL . 57.5 p -114.11 -21.69 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 23.2 t0 -53.55 -21.67 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -96.89 -22.4 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 mtm -94.89 153.0 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -85.53 172.7 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -52.12 -52.29 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -59.02 -57.87 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -39.11 -61.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -48.12 -49.22 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -54.29 -53.54 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -34.64 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.83 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 83' ' ' LEU . 82.0 mt -52.58 -50.03 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -64.25 -48.52 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 t -40.74 -51.79 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.41 159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -139.86 -70.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -56.35 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.32 164.75 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 76' ' ' ILE . 17.8 tp -132.48 87.62 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 m -81.28 143.09 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.87 HD23 HG23 ' A' ' 59' ' ' ILE . 5.9 mt -142.11 122.45 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.515 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.5 m -92.52 116.94 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -107.47 172.41 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.64 129.23 22.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -67.5 117.04 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.94 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 66.65 113.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.057 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.83 142.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.35 133.25 1.45 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -128.49 153.53 47.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 69.11 176.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.97 -43.67 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.8 OUTLIER -175.81 108.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.0 p -92.02 117.48 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 8.5 p90 -128.61 177.3 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -136.21 160.94 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -126.27 133.95 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.8 m -110.87 109.49 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.727 HD11 ' CD1' ' A' ' 50' ' ' LEU . 8.6 mt -114.22 108.85 17.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.6 m -71.41 128.07 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -93.97 155.07 21.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.1 Cg_endo -75.01 145.66 84.52 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.002 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.18 -85.29 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -74.93 174.05 54.63 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.009 -0.065 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -91.53 97.63 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.5 54.66 4.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.9 p90 -141.85 133.95 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -100.22 165.67 11.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 34' ' ' LEU . 31.9 mt -110.5 163.99 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -129.63 172.94 11.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -140.96 0.33 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.8 176.6 14.52 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -61.76 -39.56 92.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -43.71 94.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -84.61 6.6 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 52.0 34.93 14.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -134.0 163.38 51.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.71 102.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -115.87 158.72 22.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.781 HG21 HD11 ' A' ' 39' ' ' ILE . 19.3 mm -65.7 109.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -64.59 -69.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.52 163.9 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.781 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -140.48 142.42 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.2 m -84.08 143.19 42.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.99 120.49 6.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.4 -13.19 54.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -70.96 158.66 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -23.17 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.25 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.86 7.01 43.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -132.53 28.07 4.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -133.07 -104.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -145.14 15.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 87' ' ' LEU . 6.3 mt -94.67 121.83 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -127.95 156.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.27 110.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 124.07 -28.57 5.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD2' HD23 ' A' ' 87' ' ' LEU . 96.7 m-20 -38.62 156.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.47 112.67 24.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.5 t -82.14 129.39 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.02 -65.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -120.92 136.51 54.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.06 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.8 mt -101.18 107.66 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 23.0 t70 67.24 6.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.63 16.4 7.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.06 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.4 p -121.61 111.95 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -48.35 153.52 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' VAL . 70.8 p -115.17 -14.32 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -20.77 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -111.33 18.54 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 48.9 mtm -130.57 136.11 48.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 p -73.84 163.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -44.56 -50.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 70' ' ' LEU . 9.8 tp -59.65 -59.93 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -38.84 -56.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -53.28 -47.88 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.06 -45.49 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -33.82 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.751 ' HE3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -59.12 -38.85 80.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 83' ' ' LEU . 68.5 mt -57.94 -50.19 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -47.88 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.21 -56.22 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.23 161.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 -87.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.5 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -137.02 148.24 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 20' ' ' TRP . 14.5 tp -119.48 93.98 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.1 m -86.83 145.34 26.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 1.031 HD23 HG23 ' A' ' 59' ' ' ILE . 8.0 mt -144.12 123.28 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 46.0 m -92.18 119.47 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -108.07 171.95 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.63 142.18 32.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -88.84 118.6 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.025 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -62.09 -58.4 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -59.81 167.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.52 97.34 0.17 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -77.07 79.86 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -155.86 167.5 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.56 -45.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp -169.0 100.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -92.42 127.77 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.6 p90 -133.45 177.42 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 p -136.35 164.17 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.915 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.5 t -129.04 136.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.2 m -111.0 99.69 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.096 HD11 HD21 ' A' ' 50' ' ' LEU . 47.6 mt -102.4 99.43 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -63.9 140.53 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.47 154.7 17.5 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.97 143.83 79.06 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.008 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.77 -89.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.31 53.38 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.006 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.4 m95 -90.73 97.53 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.99 45.79 3.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.9 p90 -139.79 137.23 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -103.36 170.0 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.786 HD13 HD21 ' A' ' 34' ' ' LEU . 85.8 mt -108.76 152.43 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.8 OUTLIER -120.31 165.82 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.18 -147.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.07 174.56 13.41 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.98 74.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -39.61 78.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -99.61 -1.01 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 72.94 13.55 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.2 mtp -104.94 158.82 31.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.94 128.51 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.45 102.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.0 p -115.18 161.74 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.768 HG21 HD11 ' A' ' 39' ' ' ILE . 13.7 mm -69.31 97.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 2.7 t -46.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.33 166.42 27.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HG21 ' A' ' 36' ' ' ILE . 67.3 mt -139.89 139.42 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.54 143.86 48.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 119.75 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.07 -17.74 37.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -70.15 163.7 25.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -63.46 -31.32 72.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.846 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.0 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.48 -14.34 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -123.79 29.6 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 28.9 p -120.54 -85.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.72 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.096 HD21 HD11 ' A' ' 14' ' ' LEU . 3.6 pp -67.12 127.73 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -124.47 174.03 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.65 138.44 50.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.79 -31.0 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' OD2' HD23 ' A' ' 87' ' ' LEU . 76.3 m-20 -39.33 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -111.76 113.67 26.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 t -83.1 131.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.8 -60.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.05 136.47 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 62' ' ' VAL . 18.1 mt -96.83 107.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.1 t0 67.65 6.17 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.51 15.14 7.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.2 p -120.09 108.8 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.67 151.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 59' ' ' ILE . 28.3 p -118.59 -35.22 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -44.56 -30.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -86.93 -35.26 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.48 ' HE1' ' HD3' ' A' ' 75' ' ' LYS . 3.6 mtm -78.28 147.83 34.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 71' ' ' GLU . 68.8 p -77.33 160.87 28.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -42.0 -51.95 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 70' ' ' LEU . 12.0 tp -61.47 -56.36 21.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 68' ' ' THR . 3.1 mm-40 -38.96 -55.16 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -56.16 -46.2 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-30 -57.06 -39.56 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.65 -35.92 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.94 -53.34 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.45 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -49.64 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.04 148.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 -50.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.06 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -56.81 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -141.54 140.93 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 35.2 tp -99.27 86.29 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ASP . 2.2 m -85.05 141.31 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 59' ' ' ILE . 6.1 mt -143.1 134.55 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.502 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.9 m -104.15 116.2 31.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.78 171.71 7.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.71 141.05 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -70.88 116.12 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.944 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.6 114.4 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 0.802 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -58.32 -53.41 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.93 -148.45 18.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -163.39 -64.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -87.05 167.4 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.85 -45.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.71 113.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.751 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -89.65 124.7 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 6.3 p90 -133.55 177.56 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -140.73 160.95 38.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.835 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.2 t -125.91 136.81 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -103.45 96.7 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 ' CD1' ' A' ' 50' ' ' LEU . 36.7 mt -95.63 84.76 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.8 m -61.58 132.58 53.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -96.75 156.45 21.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.05 146.25 86.1 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.983 0.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.55 -93.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.93 174.43 52.67 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.004 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.0 m95 -92.92 97.97 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.89 37.22 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 4.3 p90 -128.74 138.28 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -103.35 169.39 8.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.793 HD13 HD21 ' A' ' 34' ' ' LEU . 72.1 mt -113.12 159.52 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -124.55 169.58 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -142.71 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.73 166.46 12.29 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -49.13 -37.07 20.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -85.9 9.14 17.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.84 21.13 3.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -117.2 163.2 24.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -74.98 128.18 11.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.793 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.15 102.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.9 p -115.61 158.21 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 39' ' ' ILE . 15.9 mm -65.22 104.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 12.9 t -58.52 -74.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 166.58 22.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 36' ' ' ILE . 79.9 mt -144.05 135.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -83.03 136.88 43.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.02 12.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.25 -14.05 66.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -78.39 173.98 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -40.54 92.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -61.86 -17.6 57.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.97 21.24 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -140.52 13.19 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.426 ' HB3' HG13 ' A' ' 12' ' ' VAL . 2.3 m -124.24 -136.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -113.7 -1.07 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HD21 ' A' ' 87' ' ' LEU . 5.4 mt -68.97 122.29 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -132.98 142.87 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.8 tt0 -56.49 124.2 17.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 109.6 -28.83 10.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.508 ' OD2' HD23 ' A' ' 87' ' ' LEU . 51.7 m-20 -38.99 156.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.608 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.98 113.95 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.58 131.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.5 -61.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 134.15 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.048 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.1 mt -96.2 107.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 42.6 t0 67.02 7.21 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.48 18.06 6.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -123.02 108.39 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 26.2 t-20 -44.05 152.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.8 p -115.93 -14.13 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 7.1 t0 -63.01 -14.94 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -110.93 -3.25 15.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mtm -110.37 133.71 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -69.57 162.98 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -44.48 -51.06 9.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.96 -58.93 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -39.42 -56.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -57.62 -46.61 83.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -65.25 -35.44 81.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 50.2 mt -63.89 -43.39 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -68.13 -42.43 80.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -47.67 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . . . -41.27 152.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -58.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -54.79 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 2.4 p30 -136.29 144.25 44.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 76' ' ' ILE . 7.4 tp -116.95 94.11 4.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -86.61 147.03 26.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 59' ' ' ILE . 11.2 mt -144.35 119.69 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.477 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.4 m -90.44 115.58 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.96 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -107.56 170.77 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.22 146.04 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 110.25 19.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -133.57 -54.79 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 55.98 85.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.0 -117.3 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -177.47 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -94.31 -171.49 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.91 -45.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.412 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 2.3 mtp -178.33 111.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -90.84 125.52 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.5 p90 -137.22 177.43 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -141.94 159.29 42.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.828 HG11 HD23 ' A' ' 50' ' ' LEU . 5.1 t -120.48 150.29 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.2 m -129.3 104.44 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -110.69 119.77 40.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.2 m -76.15 123.59 26.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -89.64 155.24 24.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.03 147.63 89.7 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.024 0.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.26 -88.16 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.2 53.93 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.991 0.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.629 ' CE2' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -91.06 97.55 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.91 52.82 4.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 1.4 p90 -143.23 133.9 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 0.801 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -101.29 170.27 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD11 HD11 ' A' ' 76' ' ' ILE . 25.9 mt -117.91 158.26 25.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 37' ' ' SER . 2.9 pt20 -131.01 167.34 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.72 -130.3 12.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.03 175.19 20.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -32.19 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.55 -46.31 88.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -92.37 21.49 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 47.0 33.41 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.0 163.46 43.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.95 14.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 102.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.879 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.1 p -116.47 164.08 15.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.643 HG21 HD11 ' A' ' 39' ' ' ILE . 5.2 mm -77.48 108.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -57.67 -63.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -148.78 170.82 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.732 HG23 ' HB3' ' A' ' 45' ' ' ALA . 69.6 mt -143.45 144.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -87.39 139.02 31.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.93 125.81 9.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.35 78.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.7 p -81.85 167.56 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -16.52 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.86 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -81.77 -20.35 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.78 8.79 31.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -117.42 -29.57 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 87.2 p -76.26 -127.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.83 10.3 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.86 HD11 ' HB1' ' A' ' 45' ' ' ALA . 3.8 pp -91.34 121.6 33.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.71 168.66 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' SER . 38.5 tt0 -72.76 130.1 39.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.25 -22.64 34.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -40.69 153.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.879 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -106.69 104.14 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.4 t -77.11 130.33 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.99 -59.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.48 136.76 46.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 62' ' ' VAL . 38.3 mt -95.35 107.62 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' SER . 10.6 t0 68.58 5.62 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 13.33 7.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -117.16 106.82 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 8.7 t-20 -42.49 149.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 43.8 p -114.23 -27.64 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.12 -37.84 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -80.31 -36.28 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.7 mtm -78.59 154.16 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -88.09 -164.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -70.14 -57.25 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.6 tp -58.85 -64.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.5 mm-40 -38.11 -54.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.25 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 mt-30 -57.83 -44.6 86.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.36 -26.83 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.537 ' CD ' HG11 ' A' ' 62' ' ' VAL . 1.7 tptp -71.51 -22.39 61.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 88.6 mt -77.02 -53.38 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -24.41 66.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -24.56 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.76 152.18 44.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 -64.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.09 -53.93 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.36 155.23 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.629 HD22 ' CE2' ' A' ' 20' ' ' TRP . 5.9 tp -124.22 106.89 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -98.89 145.54 26.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.978 HD23 HG23 ' A' ' 59' ' ' ILE . 8.6 mt -143.57 122.92 13.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.479 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.2 m -92.8 115.7 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -107.13 172.23 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.91 140.04 32.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -81.04 119.94 24.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.53 125.65 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 110.041 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.96 99.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.55 -137.0 2.78 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -131.0 96.35 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -106.89 -173.84 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.95 -44.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.421 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -168.46 117.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 111.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -91.18 117.73 29.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 8.2 p90 -130.78 177.9 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.99 164.08 30.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 49' ' ' GLN . 61.3 t -126.08 148.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -117.49 96.41 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -100.17 92.36 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -66.51 141.51 57.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.82 154.87 17.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 143.99 79.54 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 110.993 0.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.23 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.989 0.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 14' ' ' LEU . 2.6 m95 -90.46 97.55 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.62 49.7 3.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 p90 -142.47 143.17 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.737 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -108.79 165.78 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 34' ' ' LEU . 64.9 mt -108.46 164.33 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -130.01 173.38 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.28 -144.88 0.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.21 171.69 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -56.34 -34.96 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -45.46 81.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.9 11.73 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 47.24 35.53 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmm -131.31 164.26 43.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.8 11.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.6 102.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.841 HG22 HD12 ' A' ' 55' ' ' LEU . 5.6 p -114.23 161.46 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.998 HG21 HD11 ' A' ' 39' ' ' ILE . 11.1 mm -70.97 97.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -72.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 164.21 32.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.998 HD11 HG21 ' A' ' 36' ' ' ILE . 67.0 mt -139.05 143.01 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -94.26 146.5 31.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.02 132.02 14.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.83 -45.46 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 p -49.22 170.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.5 mmmt -62.59 -38.65 90.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -55.08 -28.34 51.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.69 18.46 12.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -139.88 12.51 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HG13 ' A' ' 12' ' ' VAL . 83.3 p -123.11 -134.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.768 ' HB2' HG22 ' A' ' 12' ' ' VAL . 3.3 mt-30 -117.64 1.87 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' HG11 ' A' ' 12' ' ' VAL . 95.5 mt -68.55 128.03 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 31.5 m -140.32 146.69 38.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.83 119.92 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 113.62 -28.38 8.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 87.3 m-20 -39.17 154.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.83 104.62 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.93 132.04 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.91 -60.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.09 137.42 50.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 62' ' ' VAL . 19.9 mt -94.92 107.48 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 4.4 t0 68.38 5.78 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.16 12.73 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.9 p -116.82 106.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -40.8 156.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' VAL . 30.9 p -124.81 0.29 8.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -65.56 -44.98 85.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -82.13 -14.34 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -92.25 138.22 31.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -80.85 164.99 22.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -43.26 -49.81 6.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -62.46 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mm-40 -38.51 -56.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -55.25 -45.58 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' HD12 ' A' ' 24' ' ' LEU . 4.7 mt-30 -59.2 -39.01 81.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -31.54 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.23 -44.26 97.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 84.6 mt -51.25 -53.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.93 -36.9 84.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -50.95 47.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.57 152.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.3 m -136.29 -55.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -54.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.96 146.36 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.3 tp -113.66 84.31 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 2.7 m -80.06 142.66 34.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.948 HD23 HG23 ' A' ' 59' ' ' ILE . 8.2 mt -143.31 127.12 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 87' ' ' LEU . 18.2 m -96.72 116.08 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -108.05 172.72 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -143.5 128.34 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -71.62 110.34 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.55 104.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 p -88.78 124.57 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.84 177.47 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -138.84 161.33 37.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.3 t -129.13 138.65 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -111.79 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.773 HD11 ' CD1' ' A' ' 50' ' ' LEU . 46.0 mt -96.97 89.34 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 m -56.78 146.86 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -109.86 156.2 15.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -74.97 154.2 99.57 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.026 -0.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -76.75 -91.72 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.41 52.85 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.959 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 83' ' ' LEU . 2.1 m95 -89.19 97.41 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' THR . . . -87.01 52.72 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.158 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 3.2 p90 -144.81 135.49 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -103.26 164.48 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 HD21 ' A' ' 34' ' ' LEU . 76.7 mt -105.64 155.06 19.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -118.69 164.6 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.87 -140.94 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.06 -174.31 23.28 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -75.88 -41.24 52.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 11.2 p-10 -68.38 -10.3 54.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.9 -2.66 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.35 32.8 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.1 mtp -134.15 157.26 78.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 128.9 11.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.756 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.46 102.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 55' ' ' LEU . 9.1 p -113.52 162.4 16.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.909 HG21 HD11 ' A' ' 39' ' ' ILE . 11.6 mm -73.34 95.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 42.8 t -49.22 -71.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 170.19 16.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.909 HD11 HG21 ' A' ' 36' ' ' ILE . 95.3 mt -144.58 143.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.0 m -82.91 133.5 48.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.95 -5.42 42.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -81.33 168.78 18.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.51 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.8 16.66 18.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.32 16.87 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.45 ' HB2' HG13 ' A' ' 12' ' ' VAL . 80.6 p -125.03 -120.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -125.39 0.81 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.997 HD23 HD21 ' A' ' 87' ' ' LEU . 12.4 mt -73.32 126.77 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.0 m -139.2 150.39 45.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' SER . 3.6 tt0 -63.39 123.12 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.68 -25.85 16.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' HD23 ' A' ' 87' ' ' LEU . 83.1 m-20 -39.92 156.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.44 105.04 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -77.16 132.32 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.37 -52.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.69 146.79 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.117 HG23 ' CD2' ' A' ' 85' ' ' LEU . 90.6 mt -117.04 110.59 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 67.47 19.28 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.84 23.02 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 75' ' ' LYS . 43.1 t -129.23 111.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -46.19 158.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 33.4 p -114.33 -28.62 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -47.41 -25.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' THR . 8.3 t -97.51 -28.25 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.0 mtm -88.2 135.95 33.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -73.25 174.23 8.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -53.47 -47.53 69.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 70' ' ' LEU . 8.4 tp -63.59 -61.63 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -38.72 -58.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.79 55.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -46.83 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.363 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.64 -30.36 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -63.98 -39.13 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 52.9 mt -54.64 -45.18 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -46.15 71.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -47.03 -49.62 20.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.74 153.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.4 -89.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -53.64 13.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.44 155.59 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.4 tp -119.95 91.67 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.555 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.3 144.36 28.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.117 ' CD2' HG23 ' A' ' 59' ' ' ILE . 15.9 mt -147.98 118.12 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 5.0 m -90.13 117.82 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.82 172.36 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.9 142.7 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.99 110.3 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -174.24 109.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.9 p -89.55 122.78 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.7 p90 -128.88 177.31 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -140.71 157.74 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.867 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.6 t -121.6 135.85 60.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 m -117.59 99.72 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -106.09 117.66 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.9 m -73.23 132.9 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.6 157.56 19.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.498 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 146.87 87.85 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.013 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -72.0 -82.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 174.22 53.85 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -92.51 97.9 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.58 47.37 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.2 p90 -134.29 136.08 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -103.14 169.96 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.77 HD22 HD23 ' A' ' 34' ' ' LEU . 48.3 mt -112.06 160.53 17.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.18 164.29 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.39 -139.3 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.47 172.54 13.18 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -33.22 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -48.22 73.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.07 -3.74 52.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.53 16.17 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -114.12 164.3 16.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.09 127.9 10.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.77 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.31 102.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -115.91 158.16 23.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.049 HG21 HD11 ' A' ' 39' ' ' ILE . 16.9 mm -65.83 96.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -71.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.18 161.41 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 36' ' ' ILE . 88.4 mt -137.88 141.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 41' ' ' PRO . 18.8 m -90.68 144.75 30.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.95 139.55 24.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 -44.17 2.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -48.51 173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.56 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.468 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -66.28 -25.16 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.12 16.25 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -138.25 11.26 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.0 p -120.67 -134.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.96 -5.26 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.978 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -68.77 121.92 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.9 m -131.76 146.5 52.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -60.03 124.49 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 107.99 -27.22 15.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG22 ' A' ' 35' ' ' THR . 80.3 m-20 -39.2 157.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.67 113.2 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -81.9 131.15 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.19 -48.14 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.68 153.56 50.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 75' ' ' LYS . 77.2 mt -119.88 110.47 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 6.6 t0 68.07 12.29 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.16 18.68 10.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 88.7 t -125.4 112.06 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 12.6 t-20 -42.35 157.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' VAL . 24.8 p -114.57 -27.13 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.52 -27.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -91.38 -33.8 15.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.3 mtm -81.75 151.29 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.4 p -88.05 -166.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.03 -58.04 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.4 tp -57.81 -62.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LEU . 4.4 mm-40 -36.66 -57.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.81 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.701 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -58.12 -51.23 70.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -28.32 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -64.08 -38.28 90.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.458 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -56.05 -50.74 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -44.19 96.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -44.12 -53.82 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.22 145.29 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m -130.99 -55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.7 -56.66 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.97 155.87 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 76' ' ' ILE . 32.6 tp -123.67 91.5 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.543 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -83.88 145.23 28.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 84' ' ' SER . 11.9 mt -146.6 118.49 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 38.5 m -90.49 114.32 26.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.978 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -107.72 169.79 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -134.59 137.15 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -67.08 110.59 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.965 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -171.17 111.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -89.29 125.37 35.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.2 p90 -135.57 177.7 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 p -137.47 162.48 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.3 t -127.0 134.28 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -106.55 101.13 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.932 HD11 HD21 ' A' ' 50' ' ' LEU . 66.6 mt -107.4 103.93 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 145.69 54.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -112.72 158.02 14.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 145.58 84.31 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 -0.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.03 -86.89 0.12 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.494 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.59 51.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.958 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.57 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -91.38 97.69 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.88 53.33 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 2.4 p90 -142.21 134.12 27.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.71 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 34' ' ' LEU . 66.4 mt -112.75 158.16 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.02 169.61 11.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.06 -143.98 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 167.98 12.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.32 -30.83 12.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -45.73 63.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -85.06 7.5 21.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 54.46 20.64 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -118.53 163.32 26.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.98 127.31 10.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.45 102.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.8 p -113.43 159.3 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.881 HG21 HD11 ' A' ' 39' ' ' ILE . 13.0 mm -68.01 89.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.1 t -41.12 -65.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.08 168.99 22.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 36' ' ' ILE . 69.8 mt -141.31 146.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.58 141.94 45.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.05 121.19 6.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.7 -7.29 63.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -77.23 163.6 26.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -33.58 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.35 -21.02 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.59 -13.95 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.95 24.82 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 36.9 p -116.6 -87.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.29 -37.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.932 HD21 HD11 ' A' ' 14' ' ' LEU . 4.1 pp -66.85 121.65 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 174.18 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.63 139.94 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.32 -30.93 7.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.471 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.7 m-20 -39.65 157.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -110.82 114.26 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.6 t -83.87 130.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -49.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -137.43 149.44 46.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.065 HG23 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -117.31 110.72 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 67.76 17.84 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.73 21.35 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 75' ' ' LYS . 94.0 t -126.42 110.83 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -41.5 160.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' VAL . 60.0 p -120.85 -37.07 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -43.94 -32.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 t -81.75 -37.53 27.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' THR . 43.7 mtm -82.53 153.7 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -85.9 -171.36 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.78 -58.06 8.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLU . 6.7 tp -55.07 -66.36 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 12.2 mm-40 -35.8 -56.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.18 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.558 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.87 -40.9 73.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -35.63 76.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 62' ' ' VAL . 8.7 tptt -58.19 -35.24 71.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 24' ' ' LEU . 59.1 mt -60.75 -48.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -46.87 78.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.24 -52.05 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.92 154.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -135.32 -91.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -56.0 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -135.63 158.94 43.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 20' ' ' TRP . 15.7 tp -127.9 89.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -81.6 148.7 28.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.065 ' CD2' HG23 ' A' ' 59' ' ' ILE . 16.4 mt -148.7 122.44 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.517 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.5 m -92.76 117.63 30.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.517 HD12 ' C ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -108.72 171.16 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.54 132.64 35.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 104.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.15 117.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -91.04 122.29 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.479 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -137.41 177.63 7.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -141.8 158.93 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.951 HG21 ' HG ' ' A' ' 50' ' ' LEU . 11.2 t -121.84 138.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.2 m -115.41 95.62 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 44' ' ' LYS . 83.2 mt -100.91 103.12 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 2.4 m -64.84 142.47 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -106.48 154.79 16.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.507 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.04 147.47 89.3 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.61 -89.14 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.28 53.53 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.029 -0.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.425 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -91.35 97.86 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.27 56.75 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.5 p90 -146.03 133.98 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -97.39 170.34 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 34' ' ' LEU . 51.0 mt -112.81 154.93 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -123.54 172.76 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 35.17 -142.74 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.53 166.82 11.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -59.77 -26.61 65.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -43.65 97.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.24 3.81 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t30 69.64 15.31 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.2 mtp -104.54 157.26 34.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.08 12.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.565 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.39 103.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.808 ' CG2' HD12 ' A' ' 55' ' ' LEU . 4.6 p -118.06 163.81 16.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.895 HG21 HD11 ' A' ' 39' ' ' ILE . 10.2 mm -73.03 104.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -54.58 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.85 148.67 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 36' ' ' ILE . 79.5 mt -122.93 139.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -83.12 136.19 43.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.97 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.86 -2.95 17.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -88.81 167.49 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -63.99 -41.38 97.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.24 61.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB2' ' CG2' ' A' ' 39' ' ' ILE . . . -92.87 13.1 21.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.75 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.557 ' HB2' HG13 ' A' ' 12' ' ' VAL . 4.6 p -135.53 -106.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.485 ' HB2' HG22 ' A' ' 12' ' ' VAL . 5.9 mt-30 -142.15 13.94 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.951 ' HG ' HG21 ' A' ' 12' ' ' VAL . 1.8 mt -91.48 123.05 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -130.61 146.68 52.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.48 122.44 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 108.69 -22.14 26.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.736 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.3 m-20 -39.77 155.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.808 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.86 103.55 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 64' ' ' THR . 22.0 t -75.07 128.86 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -105.61 -53.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.35 143.15 43.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.027 HG23 HD23 ' A' ' 85' ' ' LEU . 97.8 mt -109.21 110.62 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 70.94 9.92 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 14.6 17.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HE2' ' A' ' 75' ' ' LYS . 3.9 t -120.03 110.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.474 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.0 t-20 -42.83 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' VAL . 56.9 p -115.29 -0.93 13.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.474 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 13.8 t0 -74.9 -3.22 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 -1.89 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.567 ' SD ' ' HB2' ' A' ' 72' ' ' ALA . 5.5 ptp -117.51 142.46 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -77.14 -166.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.95 -57.4 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLN . 13.3 tp -59.04 -56.85 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.42 -54.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.567 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -56.85 -47.34 80.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -54.49 -35.14 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -24.41 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.831 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -69.17 -35.78 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HD21 ' A' ' 83' ' ' LEU . 80.1 mt -57.42 -51.79 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.76 -41.36 98.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -42.68 -53.9 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.88 161.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -138.83 -80.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -56.92 9.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.516 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m120 -138.96 169.76 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 76' ' ' ILE . 31.0 tp -124.39 88.74 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.55 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.027 HD23 HG23 ' A' ' 59' ' ' ILE . 11.9 mt -142.8 119.8 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.6 m -90.75 115.19 27.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.66 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.62 132.41 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 6.4 mmtt -73.55 111.81 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtp -175.5 102.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -90.35 128.19 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.62 177.4 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 p -133.26 164.21 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.825 HG11 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -130.03 145.71 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -112.39 95.75 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 21.4 mt -88.97 81.44 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -51.09 131.45 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.05 -177.32 33.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.96 -175.52 16.17 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.998 -0.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -54.16 -166.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 54.2 m95 -112.18 98.9 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -74.41 54.33 2.38 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 20' ' ' TRP . 1.6 p90 -158.07 131.58 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -108.31 168.48 9.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 34' ' ' LEU . 45.9 mt -111.37 159.83 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -126.67 167.75 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.88 -133.09 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.71 169.9 13.08 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.19 -39.46 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.45 -42.08 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -82.85 4.9 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 55.93 33.05 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.8 mmm -136.04 163.46 50.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.01 128.24 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.22 102.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.3 p -115.05 158.03 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 39' ' ' ILE . 16.5 mm -64.08 98.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.2 t -51.42 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 166.35 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.924 HD11 HG21 ' A' ' 36' ' ' ILE . 95.6 mt -143.07 139.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 41' ' ' PRO . 32.0 m -83.84 140.67 40.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.07 114.71 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.86 -23.08 10.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -67.76 168.98 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -23.14 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -76.63 -15.23 59.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -109.09 10.94 25.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.76 14.26 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.2 -124.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -120.21 -7.11 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.838 HD23 HD21 ' A' ' 87' ' ' LEU . 6.5 mt -69.01 127.12 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -136.55 144.59 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 37' ' ' SER . 4.8 tt0 -57.84 124.92 20.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 110.26 -29.35 9.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.484 ' OD2' HD23 ' A' ' 87' ' ' LEU . 45.1 m-20 -39.18 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.29 115.38 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.06 130.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.23 -51.06 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.25 146.64 46.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.098 HG23 ' CD2' ' A' ' 85' ' ' LEU . 30.8 mt -111.88 110.5 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 70.33 10.08 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.89 15.46 14.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.493 HG21 ' HE2' ' A' ' 75' ' ' LYS . 49.8 t -121.36 112.28 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -41.23 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 59' ' ' ILE . 38.2 p -118.75 -34.16 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -28.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -90.96 -34.13 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' THR . 26.2 mtm -84.0 139.7 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.4 p -73.33 -175.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.13 -38.07 87.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.636 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.7 -62.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mt-10 -38.17 -45.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB1' ' CD1' ' A' ' 59' ' ' ILE . . . -65.43 -44.14 88.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -64.36 -51.3 64.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.0 m-20 -52.65 -30.41 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HE2' HG21 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -63.91 -38.29 90.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.552 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 79.7 mt -55.46 -52.06 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -35.04 71.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -50.31 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.08 152.86 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -135.93 -74.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -56.19 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -138.85 144.62 39.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.449 HD21 ' CE2' ' A' ' 22' ' ' PHE . 2.7 tp -114.85 104.93 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -92.7 145.31 24.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.098 ' CD2' HG23 ' A' ' 59' ' ' ILE . 13.7 mt -145.95 121.68 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.8 m -91.02 118.41 30.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -107.61 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.43 136.22 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -71.98 118.89 15.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -165.19 104.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -94.21 126.46 39.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.7 p90 -132.0 177.34 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.6 p -136.65 162.68 32.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.96 HG21 ' HB3' ' A' ' 50' ' ' LEU . 8.2 t -123.5 140.4 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -116.33 101.29 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 50' ' ' LEU . 12.2 mt -102.33 99.44 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -62.06 130.48 45.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.494 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.25 152.38 21.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.494 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.01 142.28 74.27 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.972 0.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.77 -90.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.505 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.05 174.29 53.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 0.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -95.52 98.5 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 59.91 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 p90 -148.88 133.41 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -95.78 169.79 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 73' ' ' GLN . 78.1 mt -109.23 153.5 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.03 171.73 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.12 -136.21 0.97 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.73 159.43 12.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -46.95 -37.62 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.65 -48.43 81.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -91.32 19.68 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 43.97 36.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -128.99 163.32 46.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.22 13.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD21 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -59.37 102.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.823 ' CG2' HD12 ' A' ' 55' ' ' LEU . 2.6 p -115.29 167.17 11.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 39' ' ' ILE . 4.3 mm -79.83 93.42 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -42.19 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.42 165.36 36.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.873 HD11 HG21 ' A' ' 36' ' ' ILE . 37.8 mt -135.69 148.1 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.634 HG23 ' HD2' ' A' ' 41' ' ' PRO . 10.3 m -82.74 144.89 49.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.0 113.29 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.99 -22.86 22.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.8 p -63.8 156.88 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -57.06 -29.52 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.853 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.89 -32.7 74.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -95.62 -3.8 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.73 31.31 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 56.6 p -126.4 -84.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 48' ' ' SER . 12.4 mt-30 -166.55 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 14' ' ' LEU . 4.5 pp -66.49 121.78 16.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -118.17 174.52 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.25 143.9 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 89.62 -27.51 7.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.764 ' OD2' HD23 ' A' ' 87' ' ' LEU . 6.5 m-20 -39.57 155.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.823 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.5 OUTLIER -110.76 107.02 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.0 130.92 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.15 -42.87 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -141.25 156.13 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.821 HG23 ' CD2' ' A' ' 85' ' ' LEU . 73.0 mt -126.47 110.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' SER . 7.3 t0 72.12 11.23 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.94 15.78 19.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HE2' ' A' ' 75' ' ' LYS . 11.5 t -121.27 112.74 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 64' ' ' THR . 31.9 t-20 -48.47 148.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 22.8 p -105.3 9.78 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.516 ' C ' HG22 ' A' ' 66' ' ' THR . 12.3 t70 -81.4 58.27 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' C ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 170.44 -32.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.1 ptp -77.51 135.53 38.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -75.0 174.04 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -50.47 -50.97 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.41 -60.96 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-10 -38.54 -43.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -67.23 -42.89 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.786 ' HG2' HD12 ' A' ' 24' ' ' LEU . 6.1 mt-30 -64.3 -49.23 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.2 m-20 -56.95 -29.9 63.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HE2' HG11 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -62.11 -35.17 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -58.93 -52.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -44.92 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.4 t -41.32 -53.88 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.4 155.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 m -132.39 -80.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -55.92 -56.84 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -139.35 162.91 33.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' A' ' 76' ' ' ILE . 22.8 tp -123.19 88.25 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -80.32 144.39 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.821 ' CD2' HG23 ' A' ' 59' ' ' ILE . 8.3 mt -143.97 135.22 25.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 20.4 m -104.89 115.15 29.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.764 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -107.72 171.96 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.76 142.95 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -71.33 116.4 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.1 103.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -88.26 122.97 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.9 p90 -132.08 177.55 7.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -136.71 169.57 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.056 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 50' ' ' LEU . 26.2 t -131.44 146.14 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -128.5 95.72 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.6 mt -101.51 109.45 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -68.0 127.2 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.43 152.6 22.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 144.33 80.62 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.996 0.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.34 -86.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.37 53.06 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -93.82 98.22 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 58.56 3.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p90 -145.72 136.12 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -96.82 170.08 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 34' ' ' LEU . 76.0 mt -114.35 156.84 23.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.54 170.5 11.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.74 -147.24 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.15 166.68 11.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.86 -30.85 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -45.82 82.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.63 -0.36 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.81 22.38 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.83 164.37 17.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.03 128.07 11.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -60.06 102.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -116.39 164.37 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.787 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -73.47 105.95 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 168.69 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.787 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -142.78 138.81 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -89.35 138.17 28.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.03 -21.76 32.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -69.43 178.66 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -63.69 -23.71 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.42 15.89 18.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -138.77 11.88 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -122.28 -138.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -118.99 20.66 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.023 HD23 HD21 ' A' ' 87' ' ' LEU . 3.8 mt -91.13 122.11 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -128.93 142.69 50.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.63 121.88 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.99 -27.39 10.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 87' ' ' LEU . 63.8 m-20 -39.19 156.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.63 112.7 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.493 HG12 HG21 ' A' ' 64' ' ' THR . 31.6 t -80.42 130.1 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.26 -44.48 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 64' ' ' THR . . . -140.65 155.67 46.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.797 HG23 ' CD2' ' A' ' 85' ' ' LEU . 57.8 mt -127.13 110.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 t0 71.06 11.22 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.3 16.23 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.581 HG11 ' CE ' ' A' ' 75' ' ' LYS . 15.6 t -122.48 113.08 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.6 t-20 -43.18 162.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 67' ' ' MET . 73.1 p -121.97 12.93 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 6.5 t70 -90.16 15.98 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -147.47 19.46 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.618 ' HE3' HG22 ' A' ' 64' ' ' THR . 19.4 ptp -131.92 138.16 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -77.38 159.96 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -40.03 -57.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLU . 13.2 tp -56.73 -58.67 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mm-40 -37.18 -56.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -54.54 -51.04 66.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -50.18 -38.05 37.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -32.26 73.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' HG21 ' A' ' 59' ' ' ILE . 2.9 tptt -60.01 -30.19 68.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.89 -51.18 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -65.65 -42.91 90.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -45.14 -51.52 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.46 155.2 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -131.93 -89.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.89 -56.74 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.45 159.06 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.414 HD11 HD21 ' A' ' 85' ' ' LEU . 20.7 tp -121.73 93.25 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -82.81 144.03 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.797 ' CD2' HG23 ' A' ' 59' ' ' ILE . 14.2 mt -147.65 119.58 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.52 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.6 m -90.83 118.56 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.023 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.83 171.08 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.8 130.56 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -65.66 112.11 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.65 108.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -96.41 128.64 43.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.0 p90 -133.85 177.02 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.9 p -135.52 163.82 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.874 HG11 HD23 ' A' ' 50' ' ' LEU . 3.4 t -128.1 134.88 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 m -104.45 110.48 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 50' ' ' LEU . 34.7 mt -109.51 94.68 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -67.51 126.08 28.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.02 156.08 25.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.06 137.45 50.4 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.987 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.2 -92.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.03 174.47 52.55 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.625 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.2 m95 -90.96 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.26 50.84 4.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p90 -144.57 131.01 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 2.3 mtm180 -96.57 168.94 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 73' ' ' GLN . 63.2 mt -111.65 158.83 18.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -130.02 172.02 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.55 -145.63 0.12 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.2 176.78 14.58 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -58.09 -31.91 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.62 -45.02 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -88.61 17.89 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 41.07 32.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 mmm -128.89 162.85 49.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.78 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.883 HG22 HD12 ' A' ' 55' ' ' LEU . 4.2 p -113.41 158.0 21.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 39' ' ' ILE . 10.8 mm -68.13 98.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 10.9 t -48.04 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.08 172.22 13.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 36' ' ' ILE . 69.6 mt -142.39 140.94 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 41' ' ' PRO . 4.3 m -85.24 140.86 36.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.96 116.72 4.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.61 -36.09 4.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.1 p -54.3 162.09 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -24.15 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.931 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.19 -31.46 71.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.61 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -137.31 11.01 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -113.27 -132.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.24 4.08 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.931 HD11 ' HB1' ' A' ' 45' ' ' ALA . 2.7 pp -90.55 124.41 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -123.36 174.02 7.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.96 132.59 40.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.78 -25.32 27.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.718 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.6 m-20 -40.17 155.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.883 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.63 104.15 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.75 132.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.23 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.85 131.47 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.074 HG23 HD23 ' A' ' 85' ' ' LEU . 30.8 mt -89.48 108.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.9 t0 68.9 7.22 6.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.85 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.047 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -120.5 103.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.6 t-20 -39.75 146.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 50.9 p -117.54 -8.86 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 3.0 m-20 -58.99 -24.27 62.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 t -101.15 -20.3 15.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.447 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.2 mtm -88.9 140.31 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.8 p -82.59 164.3 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.17 -56.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.603 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.5 tp -56.29 -59.32 5.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.71 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.81 -52.71 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.8 mt-30 -52.13 -45.44 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.87 -32.87 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE2' HG11 ' A' ' 62' ' ' VAL . 8.6 tptt -60.68 -51.87 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 22' ' ' PHE . 32.6 mt -41.67 -48.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -48.55 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -39.21 -49.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.85 150.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.26 -57.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -55.09 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.15 138.07 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 20' ' ' TRP . 19.6 tp -104.26 90.11 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.5 m -86.28 145.1 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.074 HD23 HG23 ' A' ' 59' ' ' ILE . 6.4 mt -142.71 128.02 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.494 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.9 m -97.52 114.3 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.718 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -106.2 171.44 7.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.16 141.33 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -68.4 125.22 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -169.48 115.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -89.05 128.15 35.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -141.62 177.95 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -141.8 165.37 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.824 HG21 ' HG ' ' A' ' 50' ' ' LEU . 8.5 t -129.91 138.07 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -109.37 97.73 7.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 50' ' ' LEU . 99.0 mt -102.62 97.05 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.0 m -68.05 139.05 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.487 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.11 160.06 16.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.487 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 135.95 42.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.01 -0.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -57.66 -89.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.4 52.87 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.518 ' CD1' HG22 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -91.81 97.91 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.87 54.67 3.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 6.2 p90 -143.09 133.59 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.19 169.68 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 34' ' ' LEU . 20.4 mt -122.06 161.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -131.21 172.77 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.99 -136.38 10.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 168.89 19.51 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 -33.98 40.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.69 -47.08 85.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -92.71 24.61 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 42.01 32.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -127.23 163.11 44.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.31 15.28 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.567 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.846 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.7 p -116.69 166.04 12.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 39' ' ' ILE . 10.1 mm -77.99 116.38 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 11.3 t -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 163.7 29.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 36' ' ' ILE . 94.0 mt -142.82 135.25 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.688 HG23 ' HD2' ' A' ' 41' ' ' PRO . 6.3 m -84.42 145.47 45.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.0 137.63 21.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.34 -28.32 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.5 p -62.34 164.48 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.667 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.28 -27.97 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -70.51 -19.12 62.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.66 16.79 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -135.59 9.72 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.47 ' HB2' HG13 ' A' ' 12' ' ' VAL . 84.1 p -121.2 -134.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB2' HG22 ' A' ' 12' ' ' VAL . 1.9 mt-30 -114.1 -3.76 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 87' ' ' LEU . 4.1 mt -68.78 122.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -131.04 156.78 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.9 tt0 -70.12 117.76 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.17 -21.89 16.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.667 ' OD2' HD23 ' A' ' 87' ' ' LEU . 79.4 m-20 -40.22 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.846 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -113.81 102.58 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.5 131.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.1 -62.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -131.49 132.8 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.035 ' O ' HG12 ' A' ' 62' ' ' VAL . 44.4 mt -91.15 108.3 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.4 t0 69.12 6.94 5.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.84 20.16 6.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -120.52 104.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' VAL . 25.5 t-20 -40.33 146.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' MET . 43.3 p -113.58 -20.28 11.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.35 -30.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -93.45 -30.85 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' THR . 1.4 mtm -81.89 122.27 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.6 p -66.78 -174.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -59.0 -49.53 77.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.9 tp -65.82 -57.31 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -43.09 -53.64 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.04 -28.92 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -23.74 59.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -71.61 -29.02 64.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TRP . 68.8 mt -65.9 -48.1 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -45.07 91.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -43.66 -48.09 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.2 147.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -127.57 -71.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.3 -53.0 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -137.48 173.32 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 76' ' ' ILE . 10.1 tp -141.31 94.24 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.4 m -87.78 145.9 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 59' ' ' ILE . 6.3 mt -141.91 130.03 22.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.486 ' C ' HD12 ' A' ' 87' ' ' LEU . 19.7 m -100.99 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.03 171.59 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.35 135.16 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 9.2 mmtt -74.48 116.24 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -175.92 110.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 p -86.15 132.8 33.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 p90 -144.05 177.72 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -141.28 165.0 28.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.887 HG11 ' CD2' ' A' ' 50' ' ' LEU . 11.3 t -127.67 146.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -118.23 97.77 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -100.87 108.45 20.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -74.69 134.34 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -98.22 153.88 20.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.99 150.61 95.73 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 -0.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -73.01 -89.49 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.38 53.0 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.3 m95 -91.9 97.78 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.7 53.05 4.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 3.1 p90 -142.81 138.46 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.05 169.7 8.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' A' ' 34' ' ' LEU . 18.6 mt -115.16 154.75 28.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -122.83 170.49 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.08 -140.6 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.82 167.66 12.41 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -50.6 -43.96 56.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -84.83 9.16 14.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 49.93 25.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mmm -126.11 163.7 38.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.35 11.38 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.905 HG22 HD12 ' A' ' 55' ' ' LEU . 3.3 p -112.81 158.53 20.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.123 HG21 HD11 ' A' ' 39' ' ' ILE . 9.7 mm -68.87 92.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -41.77 -66.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 158.16 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 1.123 HD11 HG21 ' A' ' 36' ' ' ILE . 24.2 mt -133.28 146.7 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.707 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -82.8 145.23 49.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.94 127.07 10.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.7 -19.46 54.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.5 p -63.57 161.21 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -60.08 -47.26 86.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -52.2 -35.53 49.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -93.23 18.79 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.9 mt-30 -139.74 12.3 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -112.15 -74.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 48' ' ' SER . 5.1 mt-30 -172.93 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.887 ' CD2' HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -63.58 124.69 22.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.4 m -124.77 174.34 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -73.48 125.87 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.05 -28.89 9.31 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -39.75 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.905 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -109.13 104.04 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.6 t -77.07 131.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -57.38 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -127.31 147.91 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.081 HG23 ' CD2' ' A' ' 85' ' ' LEU . 83.9 mt -116.99 110.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 68.15 21.36 8.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 24.48 20.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HE2' ' A' ' 75' ' ' LYS . 20.0 t -130.29 110.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 9.7 t-20 -47.19 157.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' VAL . 69.2 p -118.57 -8.71 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.407 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 10.6 t0 -62.22 -17.69 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 12.0 mtm -88.57 142.3 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -79.1 173.55 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -51.73 -57.2 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -53.15 -59.86 4.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -38.65 -63.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.35 -50.88 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -58.09 -44.22 87.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -32.32 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.588 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.41 -42.06 95.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 83' ' ' LEU . 70.8 mt -52.14 -47.65 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -68.5 -53.12 25.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -50.48 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -131.19 -88.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -56.89 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.55 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 76' ' ' ILE . 30.2 tp -134.68 89.61 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -80.05 147.42 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.081 ' CD2' HG23 ' A' ' 59' ' ' ILE . 17.1 mt -147.27 124.77 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.495 ' C ' HD12 ' A' ' 87' ' ' LEU . 32.7 m -96.76 114.88 26.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -105.43 171.42 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.31 130.74 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.89 103.72 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.414 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.5 OUTLIER 177.08 101.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -87.86 128.55 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.66 177.33 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -136.7 163.16 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.878 HG21 ' HG ' ' A' ' 50' ' ' LEU . 24.7 t -127.54 149.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -130.15 95.52 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 50' ' ' LEU . 20.9 mt -100.23 102.12 13.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.8 m -63.25 140.51 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -102.81 152.92 18.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.03 144.7 81.75 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.969 0.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.58 -90.02 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.566 1.167 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.509 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.33 53.27 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.976 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.448 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.1 m95 -93.94 98.51 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.65 56.55 3.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p90 -149.78 134.25 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -99.69 168.21 10.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.913 HD12 ' HG2' ' A' ' 73' ' ' GLN . 64.4 mt -111.1 159.48 17.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -127.14 172.83 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -147.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.6 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -34.41 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.08 -45.13 67.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -82.11 4.86 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.86 23.28 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -123.98 163.3 36.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.8 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.911 HG22 HD12 ' A' ' 55' ' ' LEU . 6.3 p -114.41 161.71 17.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -70.96 98.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 15.6 t -49.93 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.66 164.73 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 36' ' ' ILE . 97.4 mt -140.54 138.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 41' ' ' PRO . 27.5 m -88.22 139.66 30.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.01 133.5 16.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -15.78 61.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.7 p -77.54 163.12 26.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.4 -24.55 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.566 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -73.86 -25.66 60.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.26 18.28 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -140.18 12.79 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -122.43 -139.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -118.4 24.78 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.047 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -98.78 125.0 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m -136.79 152.76 50.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.76 124.0 19.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.6 -26.92 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.504 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -41.56 155.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.774 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.911 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.21 104.07 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.7 t -76.31 132.8 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.3 -65.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -123.7 145.87 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 85' ' ' LEU . 96.5 mt -110.27 110.63 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.5 t0 64.85 17.44 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.54 19.46 15.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 58.7 t -123.13 108.45 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -47.67 150.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 57' ' ' VAL . 41.8 p -114.43 -16.79 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -23.45 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -98.73 -19.82 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 15.6 mtm -96.85 147.12 24.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.0 p -73.16 -178.46 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.58 -55.34 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -55.8 -57.94 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.7 mm-40 -36.99 -59.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -51.41 -43.33 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.913 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.4 mt-30 -64.29 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 1.039 ' ND2' HD21 ' A' ' 70' ' ' LEU . 5.8 m-20 -46.69 -33.05 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -39.66 82.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' GLN . 77.3 mt -55.1 -48.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.04 -43.9 94.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -44.8 -46.9 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.73 152.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -91.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.044 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -56.07 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -136.3 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' ' 20' ' ' TRP . 4.8 tp -136.12 109.69 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -99.06 140.95 32.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.976 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 59' ' ' ILE . 9.4 mt -143.78 119.9 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.522 ' C ' HD12 ' A' ' 87' ' ' LEU . 23.4 m -92.3 119.99 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.047 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -109.28 171.79 7.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.95 131.27 25.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 8' ' ' MET . 43.5 mmtt -67.58 120.74 14.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.48 111.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 p -90.46 126.25 35.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 p90 -135.96 177.68 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -143.24 154.35 43.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.941 HG11 HD23 ' A' ' 50' ' ' LEU . 4.5 t -115.33 137.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -116.0 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 50' ' ' LEU . 14.9 mt -105.9 117.84 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 22.3 m -75.16 133.49 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -97.41 151.72 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 147.53 89.51 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.039 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.75 -85.67 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.03 174.28 53.5 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.957 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.432 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -92.57 97.75 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.45 55.66 4.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p90 -144.87 137.83 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -104.73 168.79 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.689 HD22 HD23 ' A' ' 34' ' ' LEU . 16.7 mt -110.41 163.96 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -131.6 167.9 18.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -138.8 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ASN . . . 122.95 172.4 13.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -35.94 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -46.94 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.2 2.24 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLY . 41.3 m-20 59.54 20.13 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.07 164.52 18.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 128.06 11.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.38 102.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -114.34 157.26 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.878 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -66.04 98.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.9 t -50.12 -72.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 168.97 18.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.878 HD11 HG21 ' A' ' 36' ' ' ILE . 68.2 mt -142.13 136.69 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 41' ' ' PRO . 13.8 m -85.06 144.92 42.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.97 129.54 12.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.42 -37.65 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -52.06 166.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -23.86 67.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.941 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.5 -31.59 70.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 21.54 10.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.04 12.06 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' HD21 ' A' ' 14' ' ' LEU . 84.9 p -119.52 -134.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.64 4.54 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.941 HD23 HG11 ' A' ' 12' ' ' VAL . 3.8 pp -89.19 122.79 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 m -121.92 174.0 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 37' ' ' SER . 7.9 tt0 -75.37 136.28 40.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.25 -27.68 18.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.569 ' OD2' HD23 ' A' ' 87' ' ' LEU . 61.7 m-20 -39.82 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.07 112.06 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 37.0 t -81.59 131.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.94 -63.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -128.9 133.07 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.085 HG23 HD23 ' A' ' 85' ' ' LEU . 59.8 mt -94.97 108.41 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.444 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 27.9 t0 67.55 7.77 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.56 21.22 6.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.4 p -123.92 107.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -41.03 152.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.45 ' CG2' HG13 ' A' ' 59' ' ' ILE . 68.7 p -118.26 -37.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.75 -36.05 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.04 -36.33 30.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 mtm -78.84 154.62 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 79.1 p -84.44 172.48 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -55.04 -54.37 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.7 tp -56.42 -56.08 25.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.4 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 14.6 mm-40 -40.48 -64.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.3 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 4.3 mt-30 -49.93 -45.78 51.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -30.17 69.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -36.53 83.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.677 HG23 ' CD2' ' A' ' 83' ' ' LEU . 79.8 mt -58.16 -50.98 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -65.32 -48.56 72.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -40.43 -55.08 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.04 152.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m -127.91 -86.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -56.76 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.494 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 4.1 m120 -140.41 169.69 17.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.677 ' CD2' HG23 ' A' ' 76' ' ' ILE . 26.2 tp -126.91 91.42 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.7 m -82.65 142.78 31.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.085 HD23 HG23 ' A' ' 59' ' ' ILE . 11.1 mt -144.65 118.5 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.499 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.8 m -89.71 116.76 28.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.433 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -108.29 171.12 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.62 140.33 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 109.14 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -170.2 102.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -89.93 128.4 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.2 p90 -135.49 177.5 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.7 p -137.46 162.05 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.792 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.8 t -122.58 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.2 m -117.58 96.22 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.003 HD11 ' CD1' ' A' ' 50' ' ' LEU . 27.6 mt -100.8 98.72 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 m -68.11 135.84 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.93 153.46 19.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -74.98 143.86 79.16 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.975 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -65.41 -88.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.97 174.31 53.34 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CE3' HD23 ' A' ' 83' ' ' LEU . 1.1 m95 -91.25 97.68 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 46.85 3.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.7 p90 -136.97 149.09 47.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -115.19 169.89 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.82 HD22 HD23 ' A' ' 34' ' ' LEU . 39.0 mt -114.43 164.12 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -130.09 170.56 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.35 -140.59 0.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.56 12.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -35.63 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.73 -46.6 78.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -86.85 14.69 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 46.18 34.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.97 163.54 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.1 Cg_endo -75.03 128.44 11.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.82 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.97 102.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -115.17 157.24 23.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 HD11 ' A' ' 39' ' ' ILE . 17.6 mm -64.17 104.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.3 t -58.15 -75.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 167.41 20.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.795 HD11 HG21 ' A' ' 36' ' ' ILE . 79.1 mt -143.93 133.24 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.3 m -84.08 143.91 43.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 135.54 19.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.36 -29.62 8.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 p -56.89 170.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -27.61 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.18 -22.7 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.78 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.56 10.17 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 49' ' ' GLN . 51.7 p -119.32 -135.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 48' ' ' SER . 11.9 mt-30 -113.35 -2.8 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.003 ' CD1' HD11 ' A' ' 14' ' ' LEU . 15.3 mt -69.48 122.2 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -133.5 150.57 51.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.5 tt0 -63.58 121.94 15.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.62 -29.18 8.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.2 m-20 -38.83 155.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.87 114.86 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.67 131.17 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.98 -63.62 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.25 133.28 46.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.088 HG23 HD23 ' A' ' 85' ' ' LEU . 44.8 mt -92.44 108.16 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 14.8 t0 68.24 7.32 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.67 21.53 6.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.1 p -122.85 106.63 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.8 t-20 -39.49 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.466 HG21 HG13 ' A' ' 59' ' ' ILE . 63.0 p -114.99 -32.8 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -36.38 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -81.06 -32.26 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 3.5 mtm -81.41 154.88 26.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -85.11 -179.85 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -61.13 -52.14 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.47 -58.08 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -38.59 -59.33 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.23 61.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -61.15 -37.34 82.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -61.55 -43.13 99.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 78.7 mt -51.7 -50.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -44.77 89.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -46.18 -46.74 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.75 148.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t -137.18 -50.12 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.77 -55.06 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -139.16 147.19 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' CE3' ' A' ' 20' ' ' TRP . 22.6 tp -116.25 85.99 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.1 m -82.22 146.05 29.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.088 HD23 HG23 ' A' ' 59' ' ' ILE . 10.4 mt -144.73 119.74 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 63.1 m -89.79 118.49 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.992 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.38 172.11 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.04 133.36 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -68.28 122.5 18.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttp 179.25 105.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -88.35 123.49 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.6 p90 -132.91 177.7 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -137.57 169.73 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 1.081 HG11 HD23 ' A' ' 50' ' ' LEU . 39.4 t -130.31 151.13 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -127.3 101.5 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 mt -107.27 102.98 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -68.37 131.0 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.515 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.34 150.52 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.03 146.4 86.53 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.006 0.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.98 -89.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.506 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.01 174.14 54.25 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.978 0.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.4 m95 -90.7 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.99 50.82 3.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 p90 -144.22 130.27 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.21 170.24 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 73' ' ' GLN . 37.3 mt -112.25 160.27 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -128.94 171.75 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.22 -141.08 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.58 163.25 11.7 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.08 -34.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.99 -46.46 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -89.73 20.46 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 41.03 35.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.2 mmm -132.27 163.1 52.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 55' ' ' LEU . 4.1 p -113.59 159.46 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 8.5 mm -71.3 101.27 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.0 t -50.17 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.405 ' HD2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -142.68 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 73.1 mt -138.68 139.4 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -87.76 132.97 38.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.66 -22.67 5.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 p -74.96 169.36 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.52 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.044 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.48 -20.45 66.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.51 16.87 23.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -136.08 10.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.648 ' HB2' HG13 ' A' ' 12' ' ' VAL . 90.6 p -111.56 -130.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -133.83 14.33 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.081 HD23 HG11 ' A' ' 12' ' ' VAL . 3.9 pp -96.02 121.77 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -121.12 167.81 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' SER . 8.0 tt0 -69.58 136.68 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 98.63 -24.8 30.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.728 ' OD2' HD23 ' A' ' 87' ' ' LEU . 70.0 m-20 -40.0 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.55 103.49 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -75.83 133.0 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.7 -62.56 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.94 130.99 47.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.072 HG23 ' CD2' ' A' ' 85' ' ' LEU . 20.5 mt -89.27 108.59 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 68.58 7.75 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.48 21.98 6.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.9 p -121.76 103.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' VAL . 26.5 t-20 -40.31 145.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.9 p -115.73 -13.75 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -55.13 -22.91 18.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -102.49 -21.99 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.456 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -87.12 142.76 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 62.8 p -81.63 167.19 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -47.28 -53.15 14.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -60.55 -57.37 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 4.2 mm-40 -38.22 -61.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.22 -55.06 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.456 ' CG ' HD12 ' A' ' 24' ' ' LEU . 1.6 mt-30 -48.74 -43.32 37.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -26.02 53.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -70.64 -54.0 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 83' ' ' LEU . 65.4 mt -40.48 -49.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.25 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -48.69 -52.12 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.5 157.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.6 -88.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -56.19 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -143.06 151.65 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.6 tp -114.35 87.86 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.9 m -81.39 144.04 31.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.072 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.9 mt -143.97 131.52 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 87' ' ' LEU . 60.8 m -101.49 114.79 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.9 172.35 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.03 137.82 31.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 111.55 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -177.91 112.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 p -89.11 123.17 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.85 177.58 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 p -144.21 156.11 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.96 HG11 HD23 ' A' ' 50' ' ' LEU . 5.9 t -115.43 147.93 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.0 m -127.12 96.58 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 50' ' ' LEU . 8.1 mt -101.1 150.79 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.4 m -106.83 141.33 38.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -105.47 151.19 17.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.5 Cg_endo -74.98 143.22 77.13 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.029 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.05 -89.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.5 Cg_endo -74.97 174.28 53.46 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.037 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.3 m95 -90.14 97.51 11.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' ILE . . . -81.15 51.93 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.7 p90 -145.16 131.13 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.425 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 18.3 mmt180 -101.38 160.08 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 34' ' ' LEU . 52.5 mt -99.97 150.81 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -120.52 164.43 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.14 -144.95 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' MET . . . 138.48 -179.46 18.39 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -61.92 -35.43 78.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.77 3.76 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.93 19.72 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLY . 68.1 mtp -114.14 158.39 39.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.18 12.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.66 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.869 HG22 HD12 ' A' ' 55' ' ' LEU . 5.2 p -113.74 158.62 20.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 14.5 mm -68.97 97.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 28.8 t -46.0 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 166.58 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 63.6 mt -138.93 139.54 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 m -84.92 137.5 37.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.89 -24.11 8.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.7 p -72.59 161.19 31.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -35.72 60.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.921 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -60.22 -26.46 66.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 17.07 22.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -136.69 11.09 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -112.83 -129.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -130.89 6.39 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HG11 ' A' ' 12' ' ' VAL . 3.6 pp -93.55 121.79 35.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -120.59 173.17 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.04 136.55 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.44 -25.07 29.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.641 ' OD2' HD23 ' A' ' 87' ' ' LEU . 88.7 m-20 -40.12 156.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.869 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.44 103.2 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -75.08 132.41 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.22 -63.78 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -126.34 140.6 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.049 ' O ' HG12 ' A' ' 62' ' ' VAL . 49.0 mt -97.71 107.39 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 2.4 t70 69.16 4.15 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.59 8.3 9.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.049 HG12 ' O ' ' A' ' 59' ' ' ILE . 9.4 p -112.01 108.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 13.5 t-20 -44.77 151.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' VAL . 57.5 p -114.11 -21.69 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 23.2 t0 -53.55 -21.67 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -96.89 -22.4 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 mtm -94.89 153.0 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -85.53 172.7 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -52.12 -52.29 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -59.02 -57.87 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -39.11 -61.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -48.12 -49.22 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -54.29 -53.54 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -34.64 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.83 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 83' ' ' LEU . 82.0 mt -52.58 -50.03 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -64.25 -48.52 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 t -40.74 -51.79 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.41 159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -139.86 -70.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -56.35 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.32 164.75 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 76' ' ' ILE . 17.8 tp -132.48 87.62 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 m -81.28 143.09 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.87 HD23 HG23 ' A' ' 59' ' ' ILE . 5.9 mt -142.11 122.45 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.515 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.5 m -92.52 116.94 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -107.47 172.41 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.64 129.23 22.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -67.5 117.04 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.94 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.8 OUTLIER -175.81 108.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.0 p -92.02 117.48 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 8.5 p90 -128.61 177.3 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -136.21 160.94 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -126.27 133.95 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.8 m -110.87 109.49 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.727 HD11 ' CD1' ' A' ' 50' ' ' LEU . 8.6 mt -114.22 108.85 17.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.6 m -71.41 128.07 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -93.97 155.07 21.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.1 Cg_endo -75.01 145.66 84.52 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.002 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.18 -85.29 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -74.93 174.05 54.63 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.009 -0.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -91.53 97.63 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.5 54.66 4.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.9 p90 -141.85 133.95 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -100.22 165.67 11.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 34' ' ' LEU . 31.9 mt -110.5 163.99 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -129.63 172.94 11.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -140.96 0.33 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.8 176.6 14.52 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -61.76 -39.56 92.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -43.71 94.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -84.61 6.6 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 52.0 34.93 14.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -134.0 163.38 51.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.71 102.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -115.87 158.72 22.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.781 HG21 HD11 ' A' ' 39' ' ' ILE . 19.3 mm -65.7 109.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -64.59 -69.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.52 163.9 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.781 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -140.48 142.42 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.2 m -84.08 143.19 42.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.99 120.49 6.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.4 -13.19 54.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -70.96 158.66 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -23.17 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.25 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.86 7.01 43.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -132.53 28.07 4.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -133.07 -104.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -145.14 15.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 87' ' ' LEU . 6.3 mt -94.67 121.83 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -127.95 156.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.27 110.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 124.07 -28.57 5.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD2' HD23 ' A' ' 87' ' ' LEU . 96.7 m-20 -38.62 156.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.47 112.67 24.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.5 t -82.14 129.39 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.02 -65.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -120.92 136.51 54.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.06 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.8 mt -101.18 107.66 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 23.0 t70 67.24 6.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.63 16.4 7.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.06 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.4 p -121.61 111.95 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -48.35 153.52 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' VAL . 70.8 p -115.17 -14.32 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -20.77 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -111.33 18.54 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 48.9 mtm -130.57 136.11 48.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 p -73.84 163.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -44.56 -50.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 70' ' ' LEU . 9.8 tp -59.65 -59.93 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -38.84 -56.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -53.28 -47.88 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.06 -45.49 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -33.82 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.751 ' HE3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -59.12 -38.85 80.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 83' ' ' LEU . 68.5 mt -57.94 -50.19 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -47.88 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.21 -56.22 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.23 161.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 -87.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.5 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -137.02 148.24 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 20' ' ' TRP . 14.5 tp -119.48 93.98 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.1 m -86.83 145.34 26.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 1.031 HD23 HG23 ' A' ' 59' ' ' ILE . 8.0 mt -144.12 123.28 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 46.0 m -92.18 119.47 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -108.07 171.95 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.63 142.18 32.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -88.84 118.6 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.025 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp -169.0 100.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -92.42 127.77 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.6 p90 -133.45 177.42 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 p -136.35 164.17 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.915 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.5 t -129.04 136.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.2 m -111.0 99.69 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.096 HD11 HD21 ' A' ' 50' ' ' LEU . 47.6 mt -102.4 99.43 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -63.9 140.53 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.47 154.7 17.5 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.97 143.83 79.06 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.008 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.77 -89.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.31 53.38 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.006 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.4 m95 -90.73 97.53 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.99 45.79 3.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.9 p90 -139.79 137.23 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -103.36 170.0 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.786 HD13 HD21 ' A' ' 34' ' ' LEU . 85.8 mt -108.76 152.43 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.8 OUTLIER -120.31 165.82 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.18 -147.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.07 174.56 13.41 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.98 74.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -39.61 78.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -99.61 -1.01 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 72.94 13.55 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.2 mtp -104.94 158.82 31.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.94 128.51 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.45 102.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.0 p -115.18 161.74 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.768 HG21 HD11 ' A' ' 39' ' ' ILE . 13.7 mm -69.31 97.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 2.7 t -46.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.33 166.42 27.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HG21 ' A' ' 36' ' ' ILE . 67.3 mt -139.89 139.42 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.54 143.86 48.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 119.75 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.07 -17.74 37.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -70.15 163.7 25.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -63.46 -31.32 72.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.846 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.0 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.48 -14.34 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -123.79 29.6 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 28.9 p -120.54 -85.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.72 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.096 HD21 HD11 ' A' ' 14' ' ' LEU . 3.6 pp -67.12 127.73 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -124.47 174.03 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.65 138.44 50.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.79 -31.0 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.559 ' OD2' HD23 ' A' ' 87' ' ' LEU . 76.3 m-20 -39.33 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -111.76 113.67 26.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 t -83.1 131.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.8 -60.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.05 136.47 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 62' ' ' VAL . 18.1 mt -96.83 107.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.1 t0 67.65 6.17 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.51 15.14 7.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.2 p -120.09 108.8 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.67 151.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 59' ' ' ILE . 28.3 p -118.59 -35.22 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -44.56 -30.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -86.93 -35.26 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.48 ' HE1' ' HD3' ' A' ' 75' ' ' LYS . 3.6 mtm -78.28 147.83 34.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 71' ' ' GLU . 68.8 p -77.33 160.87 28.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -42.0 -51.95 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 70' ' ' LEU . 12.0 tp -61.47 -56.36 21.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 68' ' ' THR . 3.1 mm-40 -38.96 -55.16 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -56.16 -46.2 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-30 -57.06 -39.56 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.65 -35.92 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.94 -53.34 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.45 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -49.64 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.04 148.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 -50.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.06 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -56.81 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -141.54 140.93 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 35.2 tp -99.27 86.29 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ASP . 2.2 m -85.05 141.31 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 59' ' ' ILE . 6.1 mt -143.1 134.55 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.502 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.9 m -104.15 116.2 31.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.78 171.71 7.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.71 141.05 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -70.88 116.12 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.944 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.71 113.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.751 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -89.65 124.7 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 6.3 p90 -133.55 177.56 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -140.73 160.95 38.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.835 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.2 t -125.91 136.81 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -103.45 96.7 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 ' CD1' ' A' ' 50' ' ' LEU . 36.7 mt -95.63 84.76 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.8 m -61.58 132.58 53.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -96.75 156.45 21.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.05 146.25 86.1 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.983 0.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.55 -93.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.93 174.43 52.67 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.004 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.0 m95 -92.92 97.97 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.89 37.22 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 4.3 p90 -128.74 138.28 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -103.35 169.39 8.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.793 HD13 HD21 ' A' ' 34' ' ' LEU . 72.1 mt -113.12 159.52 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -124.55 169.58 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -142.71 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.73 166.46 12.29 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -49.13 -37.07 20.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -85.9 9.14 17.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.84 21.13 3.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -117.2 163.2 24.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -74.98 128.18 11.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.793 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.15 102.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.9 p -115.61 158.21 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 39' ' ' ILE . 15.9 mm -65.22 104.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 12.9 t -58.52 -74.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 166.58 22.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 36' ' ' ILE . 79.9 mt -144.05 135.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -83.03 136.88 43.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.02 12.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.25 -14.05 66.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -78.39 173.98 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -40.54 92.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -61.86 -17.6 57.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.97 21.24 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -140.52 13.19 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.426 ' HB3' HG13 ' A' ' 12' ' ' VAL . 2.3 m -124.24 -136.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -113.7 -1.07 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HD21 ' A' ' 87' ' ' LEU . 5.4 mt -68.97 122.29 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -132.98 142.87 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.8 tt0 -56.49 124.2 17.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 109.6 -28.83 10.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.508 ' OD2' HD23 ' A' ' 87' ' ' LEU . 51.7 m-20 -38.99 156.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.608 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.98 113.95 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.58 131.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.5 -61.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 134.15 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.048 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.1 mt -96.2 107.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 42.6 t0 67.02 7.21 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.48 18.06 6.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -123.02 108.39 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 26.2 t-20 -44.05 152.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.8 p -115.93 -14.13 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 7.1 t0 -63.01 -14.94 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -110.93 -3.25 15.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mtm -110.37 133.71 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -69.57 162.98 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -44.48 -51.06 9.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.96 -58.93 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -39.42 -56.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -57.62 -46.61 83.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -65.25 -35.44 81.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 50.2 mt -63.89 -43.39 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -68.13 -42.43 80.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -47.67 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . . . -41.27 152.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -58.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -54.79 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 2.4 p30 -136.29 144.25 44.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 76' ' ' ILE . 7.4 tp -116.95 94.11 4.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -86.61 147.03 26.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 59' ' ' ILE . 11.2 mt -144.35 119.69 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.477 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.4 m -90.44 115.58 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.96 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -107.56 170.77 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.22 146.04 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 110.25 19.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.412 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 2.3 mtp -178.33 111.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -90.84 125.52 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.5 p90 -137.22 177.43 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -141.94 159.29 42.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.828 HG11 HD23 ' A' ' 50' ' ' LEU . 5.1 t -120.48 150.29 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.2 m -129.3 104.44 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.631 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -110.69 119.77 40.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.2 m -76.15 123.59 26.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -89.64 155.24 24.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.03 147.63 89.7 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.024 0.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.26 -88.16 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.502 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.2 53.93 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.991 0.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.629 ' CE2' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -91.06 97.55 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.91 52.82 4.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 1.4 p90 -143.23 133.9 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 0.801 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -101.29 170.27 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.656 HD11 HD11 ' A' ' 76' ' ' ILE . 25.9 mt -117.91 158.26 25.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.451 ' NE2' ' OG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -131.01 167.34 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.72 -130.3 12.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.03 175.19 20.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -32.19 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.55 -46.31 88.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -92.37 21.49 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 47.0 33.41 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.0 163.46 43.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.95 14.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 102.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.879 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.1 p -116.47 164.08 15.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.643 HG21 HD11 ' A' ' 39' ' ' ILE . 5.2 mm -77.48 108.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -57.67 -63.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -148.78 170.82 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.732 HG23 ' HB3' ' A' ' 45' ' ' ALA . 69.6 mt -143.45 144.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -87.39 139.02 31.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.93 125.81 9.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.35 78.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.7 p -81.85 167.56 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -16.52 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.86 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -81.77 -20.35 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.78 8.79 31.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -117.42 -29.57 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 87.2 p -76.26 -127.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.83 10.3 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.86 HD11 ' HB1' ' A' ' 45' ' ' ALA . 3.8 pp -91.34 121.6 33.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.71 168.66 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' SER . 38.5 tt0 -72.76 130.1 39.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.25 -22.64 34.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -40.69 153.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.879 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -106.69 104.14 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.4 t -77.11 130.33 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.99 -59.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.48 136.76 46.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 62' ' ' VAL . 38.3 mt -95.35 107.62 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' SER . 10.6 t0 68.58 5.62 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 13.33 7.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -117.16 106.82 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 8.7 t-20 -42.49 149.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 43.8 p -114.23 -27.64 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.12 -37.84 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -80.31 -36.28 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.7 mtm -78.59 154.16 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -88.09 -164.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -70.14 -57.25 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.6 tp -58.85 -64.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.5 mm-40 -38.11 -54.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.25 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 mt-30 -57.83 -44.6 86.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.36 -26.83 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.537 ' CD ' HG11 ' A' ' 62' ' ' VAL . 1.7 tptp -71.51 -22.39 61.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 88.6 mt -77.02 -53.38 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -24.41 66.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -24.56 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.76 152.18 44.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 -64.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.09 -53.93 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.36 155.23 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.629 HD22 ' CE2' ' A' ' 20' ' ' TRP . 5.9 tp -124.22 106.89 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -98.89 145.54 26.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.978 HD23 HG23 ' A' ' 59' ' ' ILE . 8.6 mt -143.57 122.92 13.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.479 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.2 m -92.8 115.7 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -107.13 172.23 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.91 140.04 32.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -81.04 119.94 24.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.421 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -168.46 117.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 111.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -91.18 117.73 29.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 8.2 p90 -130.78 177.9 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.99 164.08 30.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 49' ' ' GLN . 61.3 t -126.08 148.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -117.49 96.41 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -100.17 92.36 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -66.51 141.51 57.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.82 154.87 17.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 143.99 79.54 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 110.993 0.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.23 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.514 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.989 0.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 14' ' ' LEU . 2.6 m95 -90.46 97.55 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.62 49.7 3.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 p90 -142.47 143.17 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.737 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -108.79 165.78 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 34' ' ' LEU . 64.9 mt -108.46 164.33 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -130.01 173.38 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.28 -144.88 0.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.21 171.69 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -56.34 -34.96 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -45.46 81.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.9 11.73 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 47.24 35.53 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmm -131.31 164.26 43.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.8 11.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.6 102.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.841 HG22 HD12 ' A' ' 55' ' ' LEU . 5.6 p -114.23 161.46 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.998 HG21 HD11 ' A' ' 39' ' ' ILE . 11.1 mm -70.97 97.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -72.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 164.21 32.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.998 HD11 HG21 ' A' ' 36' ' ' ILE . 67.0 mt -139.05 143.01 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -94.26 146.5 31.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.02 132.02 14.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.83 -45.46 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 p -49.22 170.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.5 mmmt -62.59 -38.65 90.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -55.08 -28.34 51.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.69 18.46 12.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -139.88 12.51 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HG13 ' A' ' 12' ' ' VAL . 83.3 p -123.11 -134.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.768 ' HB2' HG22 ' A' ' 12' ' ' VAL . 3.3 mt-30 -117.64 1.87 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' HG11 ' A' ' 12' ' ' VAL . 95.5 mt -68.55 128.03 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 31.5 m -140.32 146.69 38.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.83 119.92 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 113.62 -28.38 8.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 87.3 m-20 -39.17 154.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.83 104.62 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.93 132.04 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.91 -60.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.09 137.42 50.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 62' ' ' VAL . 19.9 mt -94.92 107.48 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 4.4 t0 68.38 5.78 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.16 12.73 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.9 p -116.82 106.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -40.8 156.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' VAL . 30.9 p -124.81 0.29 8.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -65.56 -44.98 85.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -82.13 -14.34 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -92.25 138.22 31.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -80.85 164.99 22.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -43.26 -49.81 6.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -62.46 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mm-40 -38.51 -56.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -55.25 -45.58 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' HD12 ' A' ' 24' ' ' LEU . 4.7 mt-30 -59.2 -39.01 81.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -31.54 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.23 -44.26 97.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.414 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 84.6 mt -51.25 -53.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.93 -36.9 84.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -50.95 47.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.57 152.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.3 m -136.29 -55.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -54.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.96 146.36 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.3 tp -113.66 84.31 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 2.7 m -80.06 142.66 34.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.948 HD23 HG23 ' A' ' 59' ' ' ILE . 8.2 mt -143.31 127.12 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 87' ' ' LEU . 18.2 m -96.72 116.08 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -108.05 172.72 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.5 128.34 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -71.62 110.34 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -151.79 106.39 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 110.006 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t 178.74 123.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 110.035 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.97 138.05 13.62 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.9 p -92.08 147.62 22.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 0.775 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.5 p -132.17 162.06 31.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.961 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.2 -44.3 0.33 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -179.55 104.93 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.8 p -88.78 124.57 34.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.033 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.84 177.47 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 21.7 p -138.84 161.33 37.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 110.025 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.3 t -129.13 138.65 53.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.6 m -111.79 96.14 5.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.773 HD11 ' CD1' ' A' ' 50' ' ' LEU . 46.0 mt -96.97 89.34 4.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.304 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.1 m -56.78 146.86 24.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.367 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -109.86 156.2 15.71 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.512 1.132 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -74.97 154.2 99.57 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.95 -2.521 . . . . 0.0 111.026 -0.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -76.75 -91.72 0.24 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 111.043 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.41 52.85 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.959 0.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.536 ' CD2' HD23 ' A' ' 83' ' ' LEU . 2.1 m95 -89.19 97.41 11.18 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 40' ' ' THR . . . -87.01 52.72 4.43 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.554 1.158 . . . . 0.0 111.029 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 3.2 p90 -144.81 135.49 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.768 . . . . 0.0 111.0 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.2 mtt-85 -103.26 164.48 11.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.756 HD13 HD21 ' A' ' 34' ' ' LEU . 76.7 mt -105.64 155.06 19.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' HG2' ' CB ' ' A' ' 37' ' ' SER . 0.1 OUTLIER -118.69 164.6 15.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.87 -140.94 0.26 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.496 1.122 . . . . 0.0 111.022 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 142.06 -174.31 23.28 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.5 tttp -75.88 -41.24 52.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 29' ' ' ASP . 11.2 p-10 -68.38 -10.3 54.16 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.9 -2.66 15.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 64.35 32.8 11.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 35.1 mtp -134.15 157.26 78.0 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 128.9 11.82 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.465 1.771 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.756 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.46 102.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.324 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.932 HG22 HD12 ' A' ' 55' ' ' LEU . 9.1 p -113.52 162.4 16.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.431 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.909 HG21 HD11 ' A' ' 39' ' ' ILE . 11.6 mm -73.34 95.56 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 109.258 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 42.8 t -49.22 -71.91 0.06 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.555 1.16 . . . . 0.0 109.973 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.71 170.19 16.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.534 1.146 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.909 HD11 HG21 ' A' ' 36' ' ' ILE . 95.3 mt -144.58 143.57 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.142 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 3.0 m -82.91 133.5 48.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.446 1.761 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 104.95 -5.42 42.56 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.7 p -81.33 168.78 18.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 0.729 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.37 -31.89 73.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.51 68.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.318 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.8 16.66 18.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.32 16.87 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.45 ' HB2' HG13 ' A' ' 12' ' ' VAL . 80.6 p -125.03 -120.75 0.27 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.966 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -125.39 0.81 7.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.997 HD23 HD21 ' A' ' 87' ' ' LEU . 12.4 mt -73.32 126.77 30.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.0 m -139.2 150.39 45.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 110.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 37' ' ' SER . 3.6 tt0 -63.39 123.12 17.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 109.68 -25.85 16.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.451 1.094 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.529 ' OD2' HD23 ' A' ' 87' ' ' LEU . 83.1 m-20 -39.92 156.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 0.775 . . . . 0.0 109.31 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.932 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.44 105.04 13.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.31 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 36.4 t -77.16 132.32 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.37 -52.54 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.161 . . . . 0.0 109.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.69 146.79 52.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.237 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.117 HG23 ' CD2' ' A' ' 85' ' ' LEU . 90.6 mt -117.04 110.59 31.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 67.47 19.28 10.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.303 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 96.84 23.02 16.34 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.095 . . . . 0.0 111.0 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.61 HG11 ' HE2' ' A' ' 75' ' ' LYS . 43.1 t -129.23 111.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -46.19 158.51 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 33.4 p -114.33 -28.62 7.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 110.406 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -47.41 -25.59 1.08 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.405 ' N ' ' C ' ' A' ' 64' ' ' THR . 8.3 t -97.51 -28.25 14.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 110.393 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.0 mtm -88.2 135.95 33.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.7 p -73.25 174.23 8.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 110.42 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -53.47 -47.53 69.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 109.602 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 70' ' ' LEU . 8.4 tp -63.59 -61.63 2.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -38.72 -58.65 1.04 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -50.32 -48.79 55.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.455 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -59.7 -46.83 87.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 110.363 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.64 -30.36 60.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.339 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.61 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER -63.98 -39.13 93.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.301 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.442 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 52.9 mt -54.64 -45.18 72.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.133 . . . . 0.0 109.336 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -46.15 71.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 27.9 t -47.03 -49.62 20.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 110.015 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.74 153.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.533 1.146 . . . . 0.0 109.312 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.4 -89.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.98 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.31 -53.64 13.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 111.017 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -141.44 155.59 45.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.4 tp -119.95 91.67 3.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.555 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -84.3 144.36 28.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.496 1.122 . . . . 0.0 110.036 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.117 ' CD2' HG23 ' A' ' 59' ' ' ILE . 15.9 mt -147.98 118.12 7.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 5.0 m -90.13 117.82 29.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.997 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.82 172.36 6.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -138.9 142.7 38.51 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -80.99 110.3 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 65.2 p . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.014 179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 59.65 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 0.794 . . . . 0.0 109.964 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -122.12 165.73 15.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.011 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.6 123.3 4.39 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.506 1.129 . . . . 0.0 110.978 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.6 p -93.35 70.36 4.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 109.959 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.3 p -145.1 173.08 12.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.95 -46.5 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -174.24 109.66 0.14 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.9 p -89.55 122.78 33.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.975 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.7 p90 -128.88 177.31 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -140.71 157.74 44.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.939 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.867 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.6 t -121.6 135.85 60.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.2 m -117.59 99.72 7.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.135 . . . . 0.0 110.359 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.929 HD11 ' CD1' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -106.09 117.66 34.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.9 m -73.23 132.9 43.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.498 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.6 157.56 19.82 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.472 1.108 . . . . 0.0 110.981 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.498 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 146.87 87.85 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.011 -2.496 . . . . 0.0 111.013 -0.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.484 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -72.0 -82.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.452 1.095 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.484 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.0 174.22 53.85 Favored 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.023 -0.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.441 ' CD1' ' CG2' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -92.51 97.9 11.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 107.996 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.58 47.37 3.84 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 2.2 p90 -134.29 136.08 43.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.978 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.1 mtm180 -103.14 169.96 8.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.77 HD22 HD23 ' A' ' 34' ' ' LEU . 48.3 mt -112.06 160.53 17.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.18 164.29 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 110.284 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.39 -139.3 0.47 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.527 1.142 . . . . 0.0 111.002 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.47 172.54 13.18 Favored Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.49 -33.22 65.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 0.755 . . . . 0.0 109.341 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.43 -48.22 73.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -81.07 -3.74 52.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 69.53 16.17 8.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -114.12 164.3 16.57 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.548 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.09 127.9 10.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.497 1.788 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.77 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.31 102.54 0.23 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.638 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -115.91 158.16 23.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.1 . . . . 0.0 110.385 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.049 HG21 HD11 ' A' ' 39' ' ' ILE . 16.9 mm -65.83 96.93 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.14 -71.04 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.969 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.18 161.41 38.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.108 . . . . 0.0 110.264 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.049 HD11 HG21 ' A' ' 36' ' ' ILE . 88.4 mt -137.88 141.01 39.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.596 HG23 ' HD2' ' A' ' 41' ' ' PRO . 18.8 m -90.68 144.75 30.93 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.596 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.95 139.55 24.55 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.482 1.78 . . . . 0.0 110.998 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.37 -44.17 2.31 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.494 1.121 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.7 p -48.51 173.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -28.56 67.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.468 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -66.28 -25.16 66.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.12 16.25 23.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -138.25 11.26 2.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.278 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 59.0 p -120.67 -134.37 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -114.96 -5.26 12.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 110.307 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.978 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -68.77 121.92 17.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.9 m -131.76 146.5 52.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.172 . . . . 0.0 109.978 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -60.03 124.49 20.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.291 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 107.99 -27.22 15.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.53 ' O ' HG22 ' A' ' 35' ' ' THR . 80.3 m-20 -39.2 157.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 0.736 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.67 113.2 25.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.5 t -81.9 131.15 34.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.19 -48.14 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.271 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.68 153.56 50.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.533 HG22 ' HG2' ' A' ' 75' ' ' LYS . 77.2 mt -119.88 110.47 29.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.447 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 6.6 t0 68.07 12.29 8.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 106.16 18.68 10.92 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.499 1.125 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 88.7 t -125.4 112.06 29.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 12.6 t-20 -42.35 157.0 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 ' N ' ' O ' ' A' ' 57' ' ' VAL . 24.8 p -114.57 -27.13 7.62 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.392 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -45.52 -27.46 0.74 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.4 t -91.38 -33.8 15.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 36.3 mtm -81.75 151.29 27.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 27.4 p -88.05 -166.05 1.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.426 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.03 -58.04 4.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.598 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.4 tp -57.81 -62.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 70' ' ' LEU . 4.4 mm-40 -36.66 -57.7 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.329 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.99 -46.81 71.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.701 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -58.12 -51.23 70.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 110.312 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.59 -28.32 31.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.533 ' HG2' HG22 ' A' ' 59' ' ' ILE . 0.6 OUTLIER -64.08 -38.28 90.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.458 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -56.05 -50.74 68.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -44.19 96.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.8 t -44.12 -53.82 6.1 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.22 145.29 2.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.7 m -130.99 -55.79 1.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.7 -56.66 4.47 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -139.97 155.87 46.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.458 ' CD2' HG23 ' A' ' 76' ' ' ILE . 32.6 tp -123.67 91.5 3.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.543 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.6 OUTLIER -83.88 145.23 28.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 84' ' ' SER . 11.9 mt -146.6 118.49 8.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.507 ' C ' HD12 ' A' ' 87' ' ' LEU . 38.5 m -90.49 114.32 26.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.382 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.978 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -107.72 169.79 8.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -134.59 137.15 43.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 110.317 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 mmtt -67.08 110.59 3.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.437 1.086 . . . . 0.0 109.965 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 p -95.55 -59.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 110.02 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.6 t -134.29 109.96 9.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.047 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.37 142.26 3.56 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.526 1.141 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -107.6 121.64 45.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 109.991 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.3 p -158.89 168.76 25.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.75 -47.81 0.05 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 ttp -171.17 111.9 0.36 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.957 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.6 p -89.29 125.37 35.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.2 p90 -135.57 177.7 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.953 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.5 p -137.47 162.48 33.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.871 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.3 t -127.0 134.28 66.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.5 m -106.55 101.13 10.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.932 HD11 HD21 ' A' ' 50' ' ' LEU . 66.6 mt -107.4 103.93 13.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.0 m -67.23 145.69 54.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.434 1.084 . . . . 0.0 110.383 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.493 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -112.72 158.02 14.56 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.493 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 145.58 84.31 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.025 -2.49 . . . . 0.0 110.995 -0.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.494 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.03 -86.89 0.12 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.51 1.131 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.494 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.59 51.88 Favored 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 121.046 -2.481 . . . . 0.0 110.958 0.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.57 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -91.38 97.69 11.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 107.998 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.88 53.33 4.84 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.496 1.122 . . . . 0.0 111.004 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.491 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 2.4 p90 -142.21 134.12 27.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 0.77 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.71 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.788 HD13 HD21 ' A' ' 34' ' ' LEU . 66.4 mt -112.75 158.16 20.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -125.02 169.61 11.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.321 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.06 -143.98 0.15 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 129.8 167.98 12.21 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -50.32 -30.83 12.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 0.778 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.02 -45.73 63.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.253 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -85.06 7.5 21.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 54.46 20.64 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.286 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -118.53 163.32 26.13 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.615 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.98 127.31 10.59 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.447 1.762 . . . . 0.0 110.997 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.788 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.45 102.32 0.23 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.278 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.539 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.8 p -113.43 159.3 19.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.513 1.133 . . . . 0.0 110.448 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.881 HG21 HD11 ' A' ' 39' ' ' ILE . 13.0 mm -68.01 89.5 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 48.1 t -41.12 -65.26 0.45 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.993 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.08 168.99 22.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.456 1.097 . . . . 0.0 110.314 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.881 HD11 HG21 ' A' ' 36' ' ' ILE . 69.8 mt -141.31 146.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.57 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.58 141.94 45.59 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 110.41 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.57 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.05 121.19 6.4 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 97.7 -7.29 63.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.7 p -77.23 163.6 26.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 0.78 . . . . 0.0 109.979 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.62 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.08 -33.58 70.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.809 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -65.35 -21.02 66.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.14 . . . . 0.0 109.257 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.59 -13.95 19.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -122.95 24.82 8.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.509 1.131 . . . . 0.0 110.303 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.507 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 36.9 p -116.6 -87.39 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.29 -37.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.531 1.144 . . . . 0.0 110.271 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.932 HD21 HD11 ' A' ' 14' ' ' LEU . 4.1 pp -66.85 121.65 15.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.15 174.18 6.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.975 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -69.63 139.94 53.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 110.337 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.32 -30.93 7.94 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.471 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.7 m-20 -39.65 157.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 0.771 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -110.82 114.26 27.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.406 ' N ' ' O ' ' A' ' 34' ' ' LEU . 24.6 t -83.87 130.85 35.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.94 -49.41 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -137.43 149.44 46.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.065 HG23 ' CD2' ' A' ' 85' ' ' LEU . 82.1 mt -117.31 110.72 32.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 67.76 17.84 9.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.433 1.083 . . . . 0.0 109.285 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.73 21.35 16.58 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.132 . . . . 0.0 110.983 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG21 ' HE2' ' A' ' 75' ' ' LYS . 94.0 t -126.42 110.83 24.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.556 0.798 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -41.5 160.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.336 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 57' ' ' VAL . 60.0 p -120.85 -37.07 3.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 0.0 110.412 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -43.94 -32.69 1.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.278 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.1 t -81.75 -37.53 27.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' THR . 43.7 mtm -82.53 153.7 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 66.0 p -85.9 -171.36 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.379 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -62.78 -58.06 8.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.568 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 71' ' ' GLU . 6.7 tp -55.07 -66.36 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.432 ' C ' ' O ' ' A' ' 70' ' ' LEU . 12.2 mm-40 -35.8 -56.78 0.69 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.278 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.83 -53.18 56.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.558 ' HG2' HD12 ' A' ' 24' ' ' LEU . 0.6 OUTLIER -55.87 -40.9 73.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.281 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.34 -35.63 76.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.28 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.484 ' HE2' HG21 ' A' ' 62' ' ' VAL . 8.7 tptt -58.19 -35.24 71.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.272 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 24' ' ' LEU . 59.1 mt -60.75 -48.92 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -46.87 78.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -44.24 -52.05 7.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.92 154.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.258 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.8 t -135.32 -91.22 0.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.63 -56.0 8.15 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -135.63 158.94 43.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 20' ' ' TRP . 15.7 tp -127.9 89.68 2.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.661 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -81.6 148.7 28.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.065 ' CD2' HG23 ' A' ' 59' ' ' ILE . 16.4 mt -148.7 122.44 9.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.517 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.5 m -92.76 117.63 30.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.389 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.517 HD12 ' C ' ' A' ' 86' ' ' THR . 0.7 OUTLIER -108.72 171.16 7.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.54 132.64 35.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 104.72 1.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 110.04 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 p -146.48 129.39 16.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.516 0.774 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -130.54 143.29 50.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.089 . . . . 0.0 109.967 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.79 93.51 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.532 1.145 . . . . 0.0 111.057 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.24 -64.29 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 0.773 . . . . 0.0 109.965 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.4 p -116.86 -166.47 1.17 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.74 -44.61 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.15 117.38 0.55 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.736 . . . . 0.0 111.02 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.9 p -91.04 122.29 33.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.993 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.479 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -137.41 177.63 7.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.129 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.5 p -141.8 158.93 43.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.951 HG21 ' HG ' ' A' ' 50' ' ' LEU . 11.2 t -121.84 138.76 51.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.2 m -115.41 95.62 5.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.447 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 44' ' ' LYS . 83.2 mt -100.91 103.12 14.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.152 . . . . 0.0 109.277 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.441 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 2.4 m -64.84 142.47 58.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.507 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -106.48 154.79 16.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.507 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.04 147.47 89.3 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.984 -2.507 . . . . 0.0 110.994 0.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.61 -89.14 0.08 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.11 . . . . 0.0 111.018 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.02 174.28 53.53 Favored 'Cis proline' 0 C--N 1.361 1.189 0 C-N-CA 121.021 -2.491 . . . . 0.0 111.029 -0.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.425 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 0.9 OUTLIER -91.35 97.86 11.35 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 108.009 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.27 56.75 4.77 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.469 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.5 p90 -146.03 133.98 21.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.7 mtm180 -97.39 170.34 9.13 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD22 ' CD2' ' A' ' 34' ' ' LEU . 51.0 mt -112.81 154.93 25.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.8 OUTLIER -123.54 172.76 8.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.305 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 35.17 -142.74 0.1 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.438 1.086 . . . . 0.0 110.957 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.53 166.82 11.75 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.8 tttt -59.77 -26.61 65.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 0.774 . . . . 0.0 109.329 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.13 -43.65 97.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -96.24 3.81 52.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.9 t30 69.64 15.31 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 53.2 mtp -104.54 157.26 34.49 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 130.08 12.9 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.565 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.39 103.27 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.808 ' CG2' HD12 ' A' ' 55' ' ' LEU . 4.6 p -118.06 163.81 16.05 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 110.385 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.895 HG21 HD11 ' A' ' 39' ' ' ILE . 10.2 mm -73.03 104.87 2.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -54.58 -76.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.974 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -141.85 148.67 39.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 110.247 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.895 HD11 HG21 ' A' ' 36' ' ' ILE . 79.5 mt -122.93 139.03 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.2 m -83.12 136.19 43.96 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 110.402 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.97 111.49 3.34 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.517 1.798 . . . . 0.0 111.029 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 117.86 -2.95 17.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.129 . . . . 0.0 111.029 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.4 p -88.81 167.49 13.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.689 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -63.99 -41.38 97.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -55.35 -31.24 61.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.256 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.423 ' HB2' ' CG2' ' A' ' 39' ' ' ILE . . . -92.87 13.1 21.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.75 29.36 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.557 ' HB2' HG13 ' A' ' 12' ' ' VAL . 4.6 p -135.53 -106.01 0.21 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.485 ' HB2' HG22 ' A' ' 12' ' ' VAL . 5.9 mt-30 -142.15 13.94 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.951 ' HG ' HG21 ' A' ' 12' ' ' VAL . 1.8 mt -91.48 123.05 34.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 60.6 m -130.61 146.68 52.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -60.48 122.44 14.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.467 1.104 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 108.69 -22.14 26.68 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.736 ' OD2' HD23 ' A' ' 87' ' ' LEU . 69.3 m-20 -39.77 155.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 0.799 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.808 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.86 103.55 11.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.456 HG12 HG21 ' A' ' 64' ' ' THR . 22.0 t -75.07 128.86 37.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -105.61 -53.25 6.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.35 143.15 43.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.027 HG23 HD23 ' A' ' 85' ' ' LEU . 97.8 mt -109.21 110.62 32.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.246 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.3 OUTLIER 70.94 9.92 6.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.57 14.6 17.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.486 1.116 . . . . 0.0 111.025 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.831 HG11 ' HE2' ' A' ' 75' ' ' LYS . 3.9 t -120.03 110.96 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 0.743 . . . . 0.0 109.328 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.474 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.0 t-20 -42.83 156.81 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 57' ' ' VAL . 56.9 p -115.29 -0.93 13.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.417 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.474 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 13.8 t0 -74.9 -3.22 30.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -117.84 -1.89 11.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.567 ' SD ' ' HB2' ' A' ' 72' ' ' ALA . 5.5 ptp -117.51 142.46 47.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.476 1.11 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 25.8 p -77.14 -166.09 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -70.95 -57.4 4.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.604 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 73' ' ' GLN . 13.3 tp -59.04 -56.85 16.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -38.42 -54.02 1.49 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.567 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -56.85 -47.34 80.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 70' ' ' LEU . 4.7 mt-30 -54.49 -35.14 62.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.1 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -73.19 -24.41 60.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.831 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.1 OUTLIER -69.17 -35.78 76.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.258 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.67 HG23 HD21 ' A' ' 83' ' ' LEU . 80.1 mt -57.42 -51.79 65.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -63.76 -41.36 98.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.8 t -42.68 -53.9 4.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.516 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.88 161.66 0.1 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.158 . . . . 0.0 109.272 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.5 t -138.83 -80.17 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -50.54 -56.92 9.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 111.014 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.516 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m120 -138.96 169.76 17.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.67 HD21 HG23 ' A' ' 76' ' ' ILE . 31.0 tp -124.39 88.74 2.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -82.55 135.27 35.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.029 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.027 HD23 HG23 ' A' ' 59' ' ' ILE . 11.9 mt -142.8 119.8 11.35 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.6 m -90.75 115.19 27.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.381 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.921 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.66 172.35 6.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.095 . . . . 0.0 109.314 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.433 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.62 132.41 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.444 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 6.4 mmtt -73.55 111.81 9.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.3 p . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.949 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.96 113.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 0.779 . . . . 0.0 109.99 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -101.92 168.19 9.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 50.68 88.07 0.01 OUTLIER Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.541 1.151 . . . . 0.0 110.984 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.1 m -148.26 133.87 18.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 109.997 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 p -96.7 160.12 14.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.983 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.98 -43.02 0.46 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.54 1.15 . . . . 0.0 110.978 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtp -175.5 102.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 0.764 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -90.35 128.19 36.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.62 177.4 7.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.974 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.1 p -133.26 164.21 27.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 110.016 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.825 HG11 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -130.03 145.71 35.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 92.4 m -112.39 95.75 5.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.385 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 ' HB3' ' CZ3' ' A' ' 20' ' ' TRP . 21.4 mt -88.97 81.44 6.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 78.4 m -51.09 131.45 27.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.385 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.05 -177.32 33.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.517 1.135 . . . . 0.0 110.962 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.418 ' O ' ' O ' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.96 -175.52 16.17 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.042 -2.482 . . . . 0.0 110.998 -0.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.423 ' HA3' ' HA ' ' A' ' 19' ' ' PRO . . . -54.16 -166.28 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HA ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.41 52.83 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.002 0.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.573 ' HB3' ' CD2' ' A' ' 22' ' ' PHE . 54.2 m95 -112.18 98.9 7.64 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' O ' ' HB3' ' A' ' 45' ' ' ALA . . . -74.41 54.33 2.38 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.475 1.109 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 20' ' ' TRP . 1.6 p90 -158.07 131.58 7.7 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 0.778 . . . . 0.0 110.982 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -108.31 168.48 9.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 110.279 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.806 HD22 HD23 ' A' ' 34' ' ' LEU . 45.9 mt -111.37 159.83 17.63 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -126.67 167.75 15.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.27 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.88 -133.09 0.9 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.502 1.126 . . . . 0.0 111.026 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.71 169.9 13.08 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -55.19 -39.46 69.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 0.755 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -65.45 -42.08 92.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 109.34 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -82.85 4.9 23.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.998 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t30 55.93 33.05 20.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 2.8 mmm -136.04 163.46 50.11 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 0.0 111.002 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.566 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.3 Cg_endo -75.01 128.24 11.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.527 1.803 . . . . 0.0 111.029 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.806 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.22 102.28 0.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.3 p -115.05 158.03 22.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 110.397 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.924 HG21 HD11 ' A' ' 39' ' ' ILE . 16.5 mm -64.08 98.42 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.411 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.2 t -51.42 -74.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.11 166.35 25.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.924 HD11 HG21 ' A' ' 36' ' ' ILE . 95.6 mt -143.07 139.47 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.442 HG23 ' HD2' ' A' ' 41' ' ' PRO . 32.0 m -83.84 140.67 40.61 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.442 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.07 114.71 4.08 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.86 -23.08 10.27 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.447 1.092 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 51.6 p -67.76 168.98 10.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 0.77 . . . . 0.0 110.003 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.19 -23.14 63.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 21' ' ' GLY . . . -76.63 -15.23 59.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.477 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -109.09 10.94 25.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -134.76 14.26 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 78.6 p -119.2 -124.17 0.28 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -120.21 -7.11 9.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.838 HD23 HD21 ' A' ' 87' ' ' LEU . 6.5 mt -69.01 127.12 32.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 67.6 m -136.55 144.59 44.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.007 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.411 ' CG ' ' O ' ' A' ' 37' ' ' SER . 4.8 tt0 -57.84 124.92 20.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.285 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 110.26 -29.35 9.25 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.484 ' OD2' HD23 ' A' ' 87' ' ' LEU . 45.1 m-20 -39.18 156.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 0.768 . . . . 0.0 109.279 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -112.29 115.38 28.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.06 130.78 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.23 -51.06 7.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.15 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -136.25 146.64 46.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.098 HG23 ' CD2' ' A' ' 85' ' ' LEU . 30.8 mt -111.88 110.5 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 70.33 10.08 7.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 107.89 15.46 14.73 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.493 HG21 ' HE2' ' A' ' 75' ' ' LYS . 49.8 t -121.36 112.28 34.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 109.312 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -41.23 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.607 HG22 HD12 ' A' ' 59' ' ' ILE . 38.2 p -118.75 -34.16 4.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.421 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.82 -28.15 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.1 t -90.96 -34.13 15.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 110.407 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 64' ' ' THR . 26.2 mtm -84.0 139.7 32.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.427 1.079 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.4 p -73.33 -175.14 1.82 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -62.13 -38.07 87.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.636 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.594 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -74.7 -62.3 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 109.334 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mt-10 -38.17 -45.93 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.5 ' HB1' ' CD1' ' A' ' 59' ' ' ILE . . . -65.43 -44.14 88.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.79 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.6 mt-30 -64.36 -51.3 64.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.471 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.0 m-20 -52.65 -30.41 31.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.493 ' HE2' HG21 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -63.91 -38.29 90.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.552 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 79.7 mt -55.46 -52.06 50.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.51 -35.04 71.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.59 -50.31 60.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 110.033 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.08 152.86 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.417 1.073 . . . . 0.0 109.316 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.9 t -135.93 -74.27 0.44 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.78 -56.19 17.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 23.2 p30 -138.85 144.62 39.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.449 HD21 ' CE2' ' A' ' 22' ' ' PHE . 2.7 tp -114.85 104.93 12.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.491 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -92.7 145.31 24.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.098 ' CD2' HG23 ' A' ' 59' ' ' ILE . 13.7 mt -145.95 121.68 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.301 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.474 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.8 m -91.02 118.41 30.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.838 HD21 HD23 ' A' ' 50' ' ' LEU . 1.4 mp -107.61 172.31 6.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.43 136.22 34.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 110.267 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 mmtp -71.98 118.89 15.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 92.5 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.27 -58.87 0.08 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 0.736 . . . . 0.0 110.014 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -100.34 125.71 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.74 -138.39 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.8 t 61.91 77.19 0.34 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 0.769 . . . . 0.0 109.99 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.3 p -163.6 175.36 10.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.947 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.63 -44.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -165.19 104.15 0.76 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.472 0.748 . . . . 0.0 111.031 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 m -94.21 126.46 39.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.473 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.7 p90 -132.0 177.34 7.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 88.6 p -136.65 162.68 32.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.96 HG21 ' HB3' ' A' ' 50' ' ' LEU . 8.2 t -123.5 140.4 47.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 m -116.33 101.29 8.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.41 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.046 HD11 HD21 ' A' ' 50' ' ' LEU . 12.2 mt -102.33 99.44 9.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.5 m -62.06 130.48 45.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.494 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.25 152.38 21.22 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.494 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.01 142.28 74.27 Favored 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 120.993 -2.503 . . . . 0.0 110.972 0.045 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.505 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.77 -90.75 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.505 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.05 174.29 53.47 Favored 'Cis proline' 0 C--N 1.36 1.159 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.0 0.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.409 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.0 OUTLIER -95.52 98.5 10.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 107.998 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -93.62 59.91 2.15 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.485 1.115 . . . . 0.0 111.008 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.489 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 4.1 p90 -148.88 133.41 17.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.2 mmt85 -95.78 169.79 9.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.786 HD12 ' HG2' ' A' ' 73' ' ' GLN . 78.1 mt -109.23 153.5 23.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.159 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -122.03 171.73 8.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.12 -136.21 0.97 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 115.73 159.43 12.02 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tttp -46.95 -37.62 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 0.763 . . . . 0.0 109.327 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.65 -48.43 81.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.345 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -91.32 19.68 5.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 111.05 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 43.97 36.0 1.29 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -128.99 163.32 46.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 130.22 13.04 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.528 1.804 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD21 ' HB1' ' A' ' 72' ' ' ALA . 0.2 OUTLIER -59.37 102.56 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.176 . . . . 0.0 109.286 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.823 ' CG2' HD12 ' A' ' 55' ' ' LEU . 2.6 p -115.29 167.17 11.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.49 1.119 . . . . 0.0 110.439 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.873 HG21 HD11 ' A' ' 39' ' ' ILE . 4.3 mm -79.83 93.42 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.1 t -42.19 -66.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.42 165.36 36.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.873 HD11 HG21 ' A' ' 36' ' ' ILE . 37.8 mt -135.69 148.1 28.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.634 HG23 ' HD2' ' A' ' 41' ' ' PRO . 10.3 m -82.74 144.89 49.32 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.154 . . . . 0.0 110.422 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -75.0 113.29 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.99 -22.86 22.6 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.472 1.108 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.8 p -63.8 156.88 25.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 0.778 . . . . 0.0 109.989 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -57.06 -29.52 63.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.853 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -62.89 -32.7 74.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.245 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.429 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -95.62 -3.8 45.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -129.73 31.31 4.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 110.328 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.511 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 56.6 p -126.4 -84.28 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 110.01 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.511 ' CG ' ' O ' ' A' ' 48' ' ' SER . 12.4 mt-30 -166.55 -36.76 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 14' ' ' LEU . 4.5 pp -66.49 121.78 16.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.5 m -118.17 174.52 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -71.25 143.9 50.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 89.62 -27.51 7.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.43 1.081 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.764 ' OD2' HD23 ' A' ' 87' ' ' LEU . 6.5 m-20 -39.57 155.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 0.76 . . . . 0.0 109.344 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.823 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.5 OUTLIER -110.76 107.02 16.41 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.353 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 24.0 t -76.0 130.92 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.15 -42.87 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.11 . . . . 0.0 109.305 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -141.25 156.13 45.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.821 HG23 ' CD2' ' A' ' 85' ' ' LEU . 73.0 mt -126.47 110.47 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 84' ' ' SER . 7.3 t0 72.12 11.23 6.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.94 15.78 19.06 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.546 1.154 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.518 HG11 ' HE2' ' A' ' 75' ' ' LYS . 11.5 t -121.27 112.74 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 0.765 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 64' ' ' THR . 31.9 t-20 -48.47 148.84 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.245 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.472 ' CG2' HG13 ' A' ' 59' ' ' ILE . 22.8 p -105.3 9.78 33.78 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.382 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.516 ' C ' HG22 ' A' ' 66' ' ' THR . 12.3 t70 -81.4 58.27 3.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.516 HG22 ' C ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 170.44 -32.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.417 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 6.1 ptp -77.51 135.53 38.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -75.0 174.04 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 110.37 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -50.47 -50.97 51.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 109.556 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.588 ' C ' ' CD1' ' A' ' 70' ' ' LEU . 0.1 OUTLIER -62.41 -60.96 2.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mt-10 -38.54 -43.98 0.91 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -67.23 -42.89 83.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.786 ' HG2' HD12 ' A' ' 24' ' ' LEU . 6.1 mt-30 -64.3 -49.23 72.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' ND2' HD11 ' A' ' 70' ' ' LEU . 2.2 m-20 -56.95 -29.9 63.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.518 ' HE2' HG11 ' A' ' 62' ' ' VAL . 1.0 OUTLIER -62.11 -35.17 77.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 109.367 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.448 HG23 ' CD2' ' A' ' 83' ' ' LEU . 84.5 mt -58.93 -52.1 64.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.563 1.165 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -44.92 95.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 40.4 t -41.32 -53.88 3.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.4 155.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 74.1 m -132.39 -80.31 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.016 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -55.92 -56.84 15.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 111.011 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.9 p30 -139.35 162.91 33.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.448 ' CD2' HG23 ' A' ' 76' ' ' ILE . 22.8 tp -123.19 88.25 2.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -80.32 144.39 32.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.015 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.821 ' CD2' HG23 ' A' ' 59' ' ' ILE . 8.3 mt -143.97 135.22 25.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.497 ' C ' HD12 ' A' ' 87' ' ' LEU . 20.4 m -104.89 115.15 29.8 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.764 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -107.72 171.96 7.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.27 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.76 142.95 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.5 mmtt -71.33 116.4 11.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.032 179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.3 p -145.15 -58.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 110.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.7 p -157.75 95.21 1.4 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.963 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.72 63.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -95.56 87.69 4.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 0.773 . . . . 0.0 109.949 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 m -91.61 164.81 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.03 -40.14 0.46 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 ttp -176.1 103.74 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 0.772 . . . . 0.0 111.003 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.2 p -88.26 122.97 32.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 109.989 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.9 p90 -132.08 177.55 7.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.4 m -136.71 169.57 17.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 110.056 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.764 HG21 ' HG ' ' A' ' 50' ' ' LEU . 26.2 t -131.44 146.14 34.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 m -128.5 95.72 4.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 110.393 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' A' ' 50' ' ' LEU . 4.6 mt -101.51 109.45 21.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.307 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.1 m -68.0 127.2 31.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 110.422 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.43 152.6 22.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.446 1.091 . . . . 0.0 111.053 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.0 144.33 80.62 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.983 -2.507 . . . . 0.0 110.996 0.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.498 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.34 -86.6 0.06 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.522 1.139 . . . . 0.0 110.951 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.498 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.37 53.06 Favored 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 121.002 -2.499 . . . . 0.0 111.023 0.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -93.82 98.22 10.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 108.02 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.63 58.56 3.36 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.515 1.134 . . . . 0.0 110.969 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.504 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.2 p90 -145.72 136.12 24.04 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 0.79 . . . . 0.0 110.957 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -96.82 170.08 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.463 HD22 ' CD2' ' A' ' 34' ' ' LEU . 76.0 mt -114.35 156.84 23.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -125.54 170.5 11.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.589 1.181 . . . . 0.0 110.306 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.74 -147.24 0.06 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 132.15 166.68 11.63 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -54.86 -30.85 58.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.3 -45.82 82.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -88.63 -0.36 57.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.967 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.4 t30 64.81 22.38 12.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.83 164.37 17.83 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 111.015 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.576 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -75.03 128.07 11.16 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.481 1.779 . . . . 0.0 110.973 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.477 HD11 ' CB ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -60.06 102.03 0.15 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.618 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -116.39 164.37 14.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 1.088 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.787 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -73.47 105.95 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 110.014 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.54 168.69 20.0 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 110.273 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.787 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -142.78 138.81 28.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 1.0 OUTLIER -89.35 138.17 28.76 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 110.365 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.0 123.73 8.1 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.483 1.78 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.03 -21.76 32.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.475 1.109 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 p -69.43 178.66 2.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.993 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.03 -35.6 80.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.562 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -63.69 -23.71 67.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.42 15.89 18.37 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -138.77 11.88 2.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 110.283 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.2 p -122.28 -138.75 0.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 110.033 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -118.99 20.66 12.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.284 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.023 HD23 HD21 ' A' ' 87' ' ' LEU . 3.8 mt -91.13 122.11 33.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 47.0 m -128.93 142.69 50.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.964 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -56.63 121.88 10.76 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 110.351 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.99 -27.39 10.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.606 ' OD2' HD23 ' A' ' 87' ' ' LEU . 63.8 m-20 -39.19 156.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 0.751 . . . . 0.0 109.286 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.618 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.63 112.7 24.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.493 HG12 HG21 ' A' ' 64' ' ' THR . 31.6 t -80.42 130.1 36.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.26 -44.48 7.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.33 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' HG23 ' A' ' 64' ' ' THR . . . -140.65 155.67 46.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.797 HG23 ' CD2' ' A' ' 85' ' ' LEU . 57.8 mt -127.13 110.56 23.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 84' ' ' SER . 12.3 t0 71.06 11.22 6.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.3 16.23 16.99 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.505 1.128 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.581 HG11 ' CE ' ' A' ' 75' ' ' LYS . 15.6 t -122.48 113.08 37.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 0.774 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 10.6 t-20 -43.18 162.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.439 1.087 . . . . 0.0 109.338 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.618 HG22 ' HE3' ' A' ' 67' ' ' MET . 73.1 p -121.97 12.93 10.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 110.431 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.49 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 6.5 t70 -90.16 15.98 9.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.4 t -147.47 19.46 1.19 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.397 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.618 ' HE3' HG22 ' A' ' 64' ' ' THR . 19.4 ptp -131.92 138.16 48.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 111.004 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 26.2 p -77.38 159.96 29.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.393 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -40.03 -57.63 1.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.593 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 71' ' ' GLU . 13.2 tp -56.73 -58.67 7.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 70' ' ' LEU . 2.6 mm-40 -37.18 -56.23 0.94 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.589 ' HB2' ' SD ' ' A' ' 67' ' ' MET . . . -54.54 -51.04 66.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.289 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -50.18 -38.05 37.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.306 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -67.08 -32.26 73.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.723 ' HB3' HG21 ' A' ' 59' ' ' ILE . 2.9 tptt -60.01 -30.19 68.99 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 1.085 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 66.2 mt -64.89 -51.18 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -65.65 -42.91 90.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 t -45.14 -51.52 10.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.529 1.143 . . . . 0.0 109.985 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.46 155.2 0.37 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 109.28 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.4 t -131.93 -89.94 0.43 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.044 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -48.89 -56.74 7.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 111.007 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.0 p30 -136.45 159.06 42.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.414 HD11 HD21 ' A' ' 85' ' ' LEU . 20.7 tp -121.73 93.25 3.94 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.548 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.5 OUTLIER -82.81 144.03 30.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.0 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.797 ' CD2' HG23 ' A' ' 59' ' ' ILE . 14.2 mt -147.65 119.58 8.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.52 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.6 m -90.83 118.56 30.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 110.431 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.023 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.83 171.08 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.8 130.56 22.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.256 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt -65.66 112.11 3.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.282 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.967 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.8 p -166.4 155.84 11.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 0.75 . . . . 0.0 110.045 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -157.6 141.77 16.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.69 -102.77 0.18 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.72 159.66 22.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.021 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m 59.13 156.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.967 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.54 -45.13 0.09 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -163.65 108.79 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 0.757 . . . . 0.0 111.012 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -96.41 128.64 43.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.96 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 6.0 p90 -133.85 177.02 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 111.003 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 90.9 p -135.52 163.82 29.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 109.961 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.874 HG11 HD23 ' A' ' 50' ' ' LEU . 3.4 t -128.1 134.88 64.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 65.9 m -104.45 110.48 22.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 HD21 ' CD2' ' A' ' 50' ' ' LEU . 34.7 mt -109.51 94.68 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.1 m -67.51 126.08 28.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.495 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -90.02 156.08 25.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.495 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.06 137.45 50.4 Favored 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.964 -2.515 . . . . 0.0 110.987 0.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.512 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -58.2 -92.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.512 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.03 174.47 52.55 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.018 0.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.625 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.2 m95 -90.96 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.26 50.84 4.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.521 1.138 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 2.7 p90 -144.57 131.01 19.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 0.789 . . . . 0.0 110.988 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 2.3 mtm180 -96.57 168.94 10.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.711 HD12 ' HG2' ' A' ' 73' ' ' GLN . 63.2 mt -111.65 158.83 18.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.6 OUTLIER -130.02 172.02 12.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 110.271 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.55 -145.63 0.12 Allowed Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 128.2 176.78 14.58 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.841 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptp -58.09 -31.91 67.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 0.754 . . . . 0.0 109.333 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -70.62 -45.02 66.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -88.61 17.89 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 110.977 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 41.07 32.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.7 mmm -128.89 162.85 49.32 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.156 . . . . 0.0 110.977 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 128.31 11.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.438 1.757 . . . . 0.0 111.034 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.78 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.883 HG22 HD12 ' A' ' 55' ' ' LEU . 4.2 p -113.41 158.0 21.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.412 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.725 HG21 HD11 ' A' ' 39' ' ' ILE . 10.8 mm -68.13 98.37 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 10.9 t -48.04 -72.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 109.969 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -144.08 172.22 13.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.725 HD11 HG21 ' A' ' 36' ' ' ILE . 69.6 mt -142.39 140.94 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.087 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.523 HG23 ' HD2' ' A' ' 41' ' ' PRO . 4.3 m -85.24 140.86 36.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.385 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.523 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.96 116.72 4.68 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.014 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 110.61 -36.09 4.45 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.539 1.149 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.1 p -54.3 162.09 1.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 0.779 . . . . 0.0 109.993 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -24.15 66.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.931 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.19 -31.46 71.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.237 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 19.61 12.52 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -137.31 11.01 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 110.333 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 87.8 p -113.27 -132.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.132 . . . . 0.0 110.015 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -124.24 4.08 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.931 HD11 ' HB1' ' A' ' 45' ' ' ALA . 2.7 pp -90.55 124.41 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -123.36 174.02 7.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.962 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -75.96 132.59 40.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.27 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 102.78 -25.32 27.86 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.526 1.141 . . . . 0.0 111.0 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.718 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.6 m-20 -40.17 155.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 0.751 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.883 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -110.63 104.15 12.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.5 t -76.75 132.13 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.23 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.85 131.47 47.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.41 1.068 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.074 HG23 HD23 ' A' ' 85' ' ' LEU . 30.8 mt -89.48 108.41 19.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 4.9 t0 68.9 7.22 6.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.21 20.85 6.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.45 1.094 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.047 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.5 p -120.5 103.62 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 0.749 . . . . 0.0 109.333 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.6 t-20 -39.75 146.65 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 50.9 p -117.54 -8.86 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.389 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 3.0 m-20 -58.99 -24.27 62.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.1 t -101.15 -20.3 15.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.121 . . . . 0.0 110.377 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.447 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.2 mtm -88.9 140.31 29.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 72.8 p -82.59 164.3 20.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 110.385 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -40.17 -56.16 1.98 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.603 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.5 tp -56.29 -59.32 5.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.471 1.107 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -38.71 -61.48 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.316 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.81 -52.71 38.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.711 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.8 mt-30 -52.13 -45.44 64.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -54.87 -32.87 61.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HE2' HG11 ' A' ' 62' ' ' VAL . 8.6 tptt -60.68 -51.87 67.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 22' ' ' PHE . 32.6 mt -41.67 -48.99 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.315 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -67.28 -48.55 67.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.339 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 t -39.21 -49.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.85 150.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.26 -57.5 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -84.97 -55.09 4.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 111.015 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -141.15 138.07 33.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.625 HD23 ' CD2' ' A' ' 20' ' ' TRP . 19.6 tp -104.26 90.11 3.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.262 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.5 m -86.28 145.1 27.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 110.011 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.074 HD23 HG23 ' A' ' 59' ' ' ILE . 6.4 mt -142.71 128.02 18.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.494 ' C ' HD12 ' A' ' 87' ' ' LEU . 24.9 m -97.52 114.3 26.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.385 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.718 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.5 OUTLIER -106.2 171.44 7.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.33 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.16 141.33 42.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -68.4 125.22 25.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.039 179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.4 m -143.1 164.17 30.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 110.017 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.7 p -153.56 169.87 22.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.45 1.094 . . . . 0.0 109.977 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.22 150.4 6.72 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.9 p -124.69 87.83 2.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.018 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.2 p -168.86 -176.15 2.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.8 -44.64 0.02 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttp -169.48 115.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 0.741 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 p -89.05 128.15 35.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.028 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.5 p90 -141.62 177.95 7.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -141.8 165.37 27.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.824 HG21 ' HG ' ' A' ' 50' ' ' LEU . 8.5 t -129.91 138.07 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.0 m -109.37 97.73 7.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.361 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.88 HD11 ' CD1' ' A' ' 50' ' ' LEU . 99.0 mt -102.62 97.05 7.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.0 m -68.05 139.05 56.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.405 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.487 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.11 160.06 16.15 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.132 . . . . 0.0 110.99 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.487 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.98 135.95 42.93 Favored 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.972 -2.512 . . . . 0.0 111.01 -0.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -57.66 -89.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.519 1.137 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.4 52.87 Favored 'Cis proline' 0 C--N 1.36 1.158 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.011 -0.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.518 ' CD1' HG22 ' A' ' 76' ' ' ILE . 0.9 OUTLIER -91.81 97.91 11.28 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.87 54.67 3.71 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' O ' ' CG ' ' A' ' 22' ' ' PHE . 6.2 p90 -143.09 133.59 24.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 0.763 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 14.7 mtt180 -98.19 169.68 9.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.293 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 34' ' ' LEU . 20.4 mt -122.06 161.84 22.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.441 ' HG2' ' N ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -131.21 172.77 11.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.99 -136.38 10.23 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.43 168.89 19.51 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -51.99 -33.98 40.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -62.69 -47.08 85.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -92.71 24.61 3.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.995 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 42.01 32.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.2 mmm -127.23 163.11 44.15 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 132.31 15.28 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.453 1.765 . . . . 0.0 110.986 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.567 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.846 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.7 p -116.69 166.04 12.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.404 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.784 HG21 HD11 ' A' ' 39' ' ' ILE . 10.1 mm -77.99 116.38 21.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.506 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 11.3 t -69.54 -74.06 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.95 163.7 29.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 36' ' ' ILE . 94.0 mt -142.82 135.25 25.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.688 HG23 ' HD2' ' A' ' 41' ' ' PRO . 6.3 m -84.42 145.47 45.26 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 0.0 110.387 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.688 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.0 137.63 21.97 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.506 1.793 . . . . 0.0 110.986 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.34 -28.32 7.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.121 . . . . 0.0 111.002 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.5 p -62.34 164.48 7.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 0.759 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.667 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.28 -27.97 68.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -70.51 -19.12 62.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.452 1.095 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.66 16.79 22.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -135.59 9.72 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.171 . . . . 0.0 110.329 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.47 ' HB2' HG13 ' A' ' 12' ' ' VAL . 84.1 p -121.2 -134.13 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 1.131 . . . . 0.0 109.986 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.449 ' HB2' HG22 ' A' ' 12' ' ' VAL . 1.9 mt-30 -114.1 -3.76 13.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.007 HD23 HD21 ' A' ' 87' ' ' LEU . 4.1 mt -68.78 122.69 19.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.0 m -131.04 156.78 44.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 109.975 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.506 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.9 tt0 -70.12 117.76 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 110.303 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 113.17 -21.89 16.82 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.667 ' OD2' HD23 ' A' ' 87' ' ' LEU . 79.4 m-20 -40.22 157.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 0.749 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.846 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -113.81 102.58 10.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 22.3 t -75.5 131.61 34.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.1 -62.48 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -131.49 132.8 44.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.035 ' O ' HG12 ' A' ' 62' ' ' VAL . 44.4 mt -91.15 108.3 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 84' ' ' SER . 6.4 t0 69.12 6.94 5.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.292 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.84 20.16 6.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.035 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -120.52 104.02 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 62' ' ' VAL . 25.5 t-20 -40.33 146.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' MET . 43.3 p -113.58 -20.28 11.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -44.35 -30.65 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -93.45 -30.85 14.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.361 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 64' ' ' THR . 1.4 mtm -81.89 122.27 27.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.47 1.106 . . . . 0.0 111.031 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 76.6 p -66.78 -174.8 0.35 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 110.365 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -59.0 -49.53 77.54 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.638 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.9 tp -65.82 -57.31 8.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -43.09 -53.64 4.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 110.266 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.46 -49.17 78.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 0.0 109.253 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -57.04 -28.92 62.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -74.19 -23.74 59.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.4 tptt -71.61 -29.02 64.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG22 ' CD1' ' A' ' 20' ' ' TRP . 68.8 mt -65.9 -48.1 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -45.07 91.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.0 t -43.66 -48.09 7.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 110.017 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.463 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.2 147.73 0.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.6 t -127.57 -71.85 0.65 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.023 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -71.3 -53.0 15.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.478 1.111 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.463 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -137.48 173.32 11.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.296 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.45 ' CD2' HG23 ' A' ' 76' ' ' ILE . 10.1 tp -141.31 94.24 2.67 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.4 m -87.78 145.9 25.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.994 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.02 HD23 HG23 ' A' ' 59' ' ' ILE . 6.3 mt -141.91 130.03 22.1 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.543 1.152 . . . . 0.0 109.343 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.486 ' C ' HD12 ' A' ' 87' ' ' LEU . 19.7 m -100.99 113.73 27.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.437 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.007 HD21 HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -107.03 171.59 7.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.35 135.16 28.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.445 ' HG2' ' CE1' ' A' ' 10' ' ' TYR . 9.2 mmtt -74.48 116.24 14.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.439 1.087 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 25.2 p . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.004 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.7 m -46.73 117.7 1.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.81 -58.75 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.97 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -58.22 167.73 5.88 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.4 152.9 51.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 0.751 . . . . 0.0 110.016 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 51.42 -171.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.998 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.64 -47.6 0.08 OUTLIER Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.42 1.075 . . . . 0.0 111.015 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 ttp -175.92 110.0 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 0.75 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.7 p -86.15 132.8 33.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.8 p90 -144.05 177.72 8.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 110.984 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.4 m -141.28 165.0 28.73 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.887 HG11 ' CD2' ' A' ' 50' ' ' LEU . 11.3 t -127.67 146.91 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.8 m -118.23 97.77 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 110.397 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.3 mt -100.87 108.45 20.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.9 m -74.69 134.34 41.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.5 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -98.22 153.88 20.06 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.563 1.164 . . . . 0.0 111.001 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.5 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.99 150.61 95.73 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.019 -2.492 . . . . 0.0 111.011 -0.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.497 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -73.01 -89.49 0.15 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.497 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.38 53.0 Favored 'Cis proline' 0 C--N 1.361 1.192 0 C-N-CA 120.968 -2.513 . . . . 0.0 110.995 0.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.3 m95 -91.9 97.78 11.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 107.978 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.7 53.05 4.51 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.444 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 3.1 p90 -142.81 138.46 30.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 111.015 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.0 mmt85 -105.05 169.7 8.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 110.279 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.821 HD22 ' CD2' ' A' ' 34' ' ' LEU . 18.6 mt -115.16 154.75 28.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.168 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.438 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -122.83 170.49 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.267 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 38.08 -140.6 0.46 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.496 1.122 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 126.82 167.66 12.41 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 tttp -50.6 -43.96 56.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.458 0.74 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -62.1 -41.46 98.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -84.83 9.16 14.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.6 t30 49.93 25.65 1.7 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.2 mmm -126.11 163.7 38.18 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 111.014 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 128.35 11.38 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.489 1.784 . . . . 0.0 111.035 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.821 ' CD2' HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.44 102.08 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.905 HG22 HD12 ' A' ' 55' ' ' LEU . 3.3 p -112.81 158.53 20.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.123 HG21 HD11 ' A' ' 39' ' ' ILE . 9.7 mm -68.87 92.9 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -41.77 -66.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.032 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.94 158.16 34.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.315 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 1.123 HD11 HG21 ' A' ' 36' ' ' ILE . 24.2 mt -133.28 146.7 31.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.707 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -82.8 145.23 49.81 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.376 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.707 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.94 127.07 10.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.7 -19.46 54.22 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.449 1.093 . . . . 0.0 111.032 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 93.5 p -63.57 161.21 15.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.436 ' O ' ' OG ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -60.08 -47.26 86.61 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.635 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -52.2 -35.53 49.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.536 ' HB2' HG22 ' A' ' 39' ' ' ILE . . . -93.23 18.79 8.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.9 mt-30 -139.74 12.3 2.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.572 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER -112.15 -74.57 0.63 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.009 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.572 ' CG ' ' O ' ' A' ' 48' ' ' SER . 5.1 mt-30 -172.93 -30.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.887 ' CD2' HG11 ' A' ' 12' ' ' VAL . 0.7 OUTLIER -63.58 124.69 22.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.4 m -124.77 174.34 7.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -73.48 125.87 28.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.05 -28.89 9.31 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.448 1.092 . . . . 0.0 110.961 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD2' HD23 ' A' ' 87' ' ' LEU . 89.4 m-20 -39.75 154.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 0.779 . . . . 0.0 109.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.905 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -109.13 104.04 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 27.6 t -77.07 131.74 34.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.23 -57.38 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.414 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -127.31 147.91 50.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.081 HG23 ' CD2' ' A' ' 85' ' ' LEU . 83.9 mt -116.99 110.75 32.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 84' ' ' SER . 0.2 OUTLIER 68.15 21.36 8.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 93.74 24.48 20.5 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HE2' ' A' ' 75' ' ' LYS . 20.0 t -130.29 110.38 18.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.298 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.407 ' OD1' ' CB ' ' A' ' 65' ' ' ASP . 9.7 t-20 -47.19 157.74 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.466 ' N ' ' O ' ' A' ' 57' ' ' VAL . 69.2 p -118.57 -8.71 10.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.407 ' CB ' ' OD1' ' A' ' 63' ' ' ASN . 10.6 t0 -62.22 -17.69 59.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.1 t -107.38 -25.3 11.5 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 110.397 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 12.0 mtm -88.57 142.3 27.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.957 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 47.7 p -79.1 173.55 12.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.354 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -51.73 -57.2 9.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -53.15 -59.86 4.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -38.65 -63.01 0.55 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 1.116 . . . . 0.0 110.302 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -47.35 -50.88 21.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' HD12 ' A' ' 24' ' ' LEU . 5.2 mt-30 -58.09 -44.22 87.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -32.32 66.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.588 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -60.41 -42.06 95.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.489 HG23 ' CD2' ' A' ' 83' ' ' LEU . 70.8 mt -52.14 -47.65 43.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -68.5 -53.12 25.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.446 1.091 . . . . 0.0 109.316 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.08 -50.48 4.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.93 151.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.5 m -131.19 -88.44 0.47 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.991 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -47.0 -56.89 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.55 173.81 11.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.489 ' CD2' HG23 ' A' ' 76' ' ' ILE . 30.2 tp -134.68 89.61 2.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.486 ' O ' HD23 ' A' ' 85' ' ' LEU . 0.4 OUTLIER -80.05 147.42 31.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.081 ' CD2' HG23 ' A' ' 59' ' ' ILE . 17.1 mt -147.27 124.77 11.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.495 ' C ' HD12 ' A' ' 87' ' ' LEU . 32.7 m -96.76 114.88 26.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' A' ' 87' ' ' LEU . 0.4 OUTLIER -105.43 171.42 7.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.267 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -139.31 130.74 27.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -69.89 103.72 2.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.7 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.97 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.4 t -172.98 136.69 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 0.77 . . . . 0.0 109.978 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.61 158.71 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.3 -123.19 0.3 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.491 1.119 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -132.82 89.53 2.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 0.777 . . . . 0.0 109.975 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -141.54 154.98 45.81 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.468 1.105 . . . . 0.0 109.951 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.61 -38.34 0.63 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.414 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.5 OUTLIER 177.08 101.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -87.86 128.55 35.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.988 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 2.9 p90 -134.66 177.33 7.87 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.3 p -136.7 163.16 31.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.878 HG21 ' HG ' ' A' ' 50' ' ' LEU . 24.7 t -127.54 149.69 32.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.2 m -130.15 95.52 3.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.784 HD11 ' CD1' ' A' ' 50' ' ' LEU . 20.9 mt -100.23 102.12 13.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.8 m -63.25 140.51 58.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.137 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -102.81 152.92 18.25 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.422 1.077 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.2 Cg_endo -75.03 144.7 81.75 Favored 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 121.022 -2.491 . . . . 0.0 110.969 0.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.509 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.58 -90.02 0.03 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.566 1.167 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.509 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -75.02 174.33 53.27 Favored 'Cis proline' 0 C--N 1.361 1.202 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.976 -0.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.448 ' CZ3' ' O ' ' A' ' 14' ' ' LEU . 1.1 m95 -93.94 98.51 11.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 108.02 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.65 56.55 3.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.541 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.0 p90 -149.78 134.25 17.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.96 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -99.69 168.21 10.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.913 HD12 ' HG2' ' A' ' 73' ' ' GLN . 64.4 mt -111.1 159.48 17.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.5 OUTLIER -127.14 172.83 10.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -147.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.434 1.084 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 131.6 165.48 11.41 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -50.08 -34.41 21.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.08 -45.13 67.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -82.11 4.86 21.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 55.86 23.28 6.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -123.98 163.3 36.33 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.94 11.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.564 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -59.8 102.65 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.911 HG22 HD12 ' A' ' 55' ' ' LEU . 6.3 p -114.41 161.71 17.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 110.358 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.99 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -70.96 98.51 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.49 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 15.6 t -49.93 -73.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.66 164.73 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.99 HD11 HG21 ' A' ' 36' ' ' ILE . 97.4 mt -140.54 138.17 35.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 41' ' ' PRO . 27.5 m -88.22 139.66 30.43 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.2 Cg_endo -75.01 133.5 16.65 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.488 1.783 . . . . 0.0 110.964 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.48 -15.78 61.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.7 p -77.54 163.12 26.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -54.4 -24.55 20.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 109.31 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.566 ' CB ' HG23 ' A' ' 39' ' ' ILE . . . -73.86 -25.66 60.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -98.26 18.28 16.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -140.18 12.79 2.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.8 p -122.43 -139.69 0.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -118.4 24.78 10.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.047 HD23 HD21 ' A' ' 87' ' ' LEU . 4.5 mt -98.78 125.0 44.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 36.9 m -136.79 152.76 50.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.49 ' CG ' ' O ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.76 124.0 19.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.342 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.6 -26.92 10.35 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.504 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -41.56 155.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 0.774 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.911 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.21 104.07 12.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.7 t -76.31 132.8 32.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.298 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.3 -65.75 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.33 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -123.7 145.87 48.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.91 HG23 HD23 ' A' ' 85' ' ' LEU . 96.5 mt -110.27 110.63 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.5 t0 64.85 17.44 11.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.54 19.46 15.85 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.502 1.126 . . . . 0.0 111.029 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' ALA . 58.7 t -123.13 108.45 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.545 0.791 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -47.67 150.79 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.481 HG23 ' O ' ' A' ' 57' ' ' VAL . 41.8 p -114.43 -16.79 11.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.432 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -23.45 62.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.6 t -98.73 -19.82 17.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.428 ' HB3' ' CB ' ' A' ' 71' ' ' GLU . 15.6 mtm -96.85 147.12 24.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 59.0 p -73.16 -178.46 2.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 110.394 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -59.58 -55.34 35.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.597 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 1.039 HD21 ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -55.8 -57.94 9.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.997 ' N ' HD13 ' A' ' 70' ' ' LEU . 3.7 mm-40 -36.99 -59.9 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -51.41 -43.33 61.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.913 ' HG2' HD12 ' A' ' 24' ' ' LEU . 3.4 mt-30 -64.29 -59.34 4.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 1.039 ' ND2' HD21 ' A' ' 70' ' ' LEU . 5.8 m-20 -46.69 -33.05 3.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -39.66 82.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.555 1.16 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.434 ' N ' ' O ' ' A' ' 73' ' ' GLN . 77.3 mt -55.1 -48.61 75.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.1 mttt -64.04 -43.9 94.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.106 . . . . 0.0 109.336 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 25.4 t -44.8 -46.9 10.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -47.73 152.62 0.69 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.09 -91.0 0.48 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.044 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.89 -56.07 9.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.439 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -136.3 174.32 10.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.429 HD22 ' CD2' ' A' ' 20' ' ' TRP . 4.8 tp -136.12 109.69 8.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.332 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.4 OUTLIER -99.06 140.95 32.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.976 -179.943 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.91 HD23 HG23 ' A' ' 59' ' ' ILE . 9.4 mt -143.78 119.9 10.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.254 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.522 ' C ' HD12 ' A' ' 87' ' ' LEU . 23.4 m -92.3 119.99 32.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 110.372 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.047 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -109.28 171.79 7.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.95 131.27 25.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 110.295 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 8' ' ' MET . 43.5 mmtt -67.58 120.74 14.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.8 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.984 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.4 t -107.67 113.77 27.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 0.749 . . . . 0.0 110.007 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 63.05 150.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.023 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.84 93.47 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.463 1.102 . . . . 0.0 111.041 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.21 114.48 8.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 0.763 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.6 p -116.37 -171.43 2.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 110.008 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.46 -44.41 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.477 1.11 . . . . 0.0 111.01 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -177.48 111.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 0.782 . . . . 0.0 110.98 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 p -90.46 126.25 35.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.938 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.3 p90 -135.96 177.68 7.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -143.24 154.35 43.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.014 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.941 HG11 HD23 ' A' ' 50' ' ' LEU . 4.5 t -115.33 137.24 49.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.1 m -116.0 99.41 7.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.41 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.924 HD11 ' CD2' ' A' ' 50' ' ' LEU . 14.9 mt -105.9 117.84 35.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.102 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.445 ' OG1' ' ND2' ' A' ' 82' ' ' ASN . 22.3 m -75.16 133.49 41.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 110.355 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -97.41 151.72 19.83 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.48 1.113 . . . . 0.0 111.048 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 147.53 89.51 Favored 'Cis proline' 0 C--N 1.36 1.141 0 C-N-CA 121.018 -2.492 . . . . 0.0 111.039 -0.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.488 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.75 -85.67 0.13 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.488 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.03 174.28 53.5 Favored 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 121.063 -2.474 . . . . 0.0 110.957 0.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.432 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.7 OUTLIER -92.57 97.75 11.01 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -86.45 55.66 4.72 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.522 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 1.6 p90 -144.87 137.83 26.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 0.748 . . . . 0.0 111.02 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -104.73 168.79 8.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.689 HD22 HD23 ' A' ' 34' ' ' LEU . 16.7 mt -110.41 163.96 13.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -131.6 167.9 18.62 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 110.295 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 36.84 -138.8 0.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 0.0 110.934 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' ASN . . . 122.95 172.4 13.88 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.11 -35.94 49.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.78 -46.94 80.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -85.2 2.24 44.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 111.037 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 27' ' ' GLY . 41.3 m-20 59.54 20.13 8.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.07 164.52 18.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.132 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.55 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.5 Cg_endo -74.96 128.06 11.22 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.499 1.789 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.689 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.38 102.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.565 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -114.34 157.26 23.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.462 1.101 . . . . 0.0 110.403 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.878 HG21 HD11 ' A' ' 39' ' ' ILE . 12.5 mm -66.04 98.44 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.556 1.16 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.424 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.9 t -50.12 -72.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 109.99 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.27 168.97 18.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.878 HD11 HG21 ' A' ' 36' ' ' ILE . 68.2 mt -142.13 136.69 29.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.637 HG23 ' HD2' ' A' ' 41' ' ' PRO . 13.8 m -85.06 144.92 42.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.637 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.97 129.54 12.46 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.451 1.764 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.42 -37.65 3.41 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.2 p -52.06 166.75 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 0.773 . . . . 0.0 109.997 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -23.86 67.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.941 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -68.5 -31.59 70.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.88 21.54 10.44 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -139.04 12.06 2.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 110.325 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.481 ' CB ' HD21 ' A' ' 14' ' ' LEU . 84.9 p -119.52 -134.39 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.986 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -124.64 4.54 8.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.941 HD23 HG11 ' A' ' 12' ' ' VAL . 3.8 pp -89.19 122.79 32.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.8 m -121.92 174.0 7.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.424 1.078 . . . . 0.0 110.008 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' CG ' ' O ' ' A' ' 37' ' ' SER . 7.9 tt0 -75.37 136.28 40.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 110.297 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.404 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.25 -27.68 18.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.569 ' OD2' HD23 ' A' ' 87' ' ' LEU . 61.7 m-20 -39.82 156.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.565 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.07 112.06 23.59 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 34' ' ' LEU . 37.0 t -81.59 131.23 34.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.315 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -108.94 -63.29 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -128.9 133.07 47.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.085 HG23 HD23 ' A' ' 85' ' ' LEU . 59.8 mt -94.97 108.41 20.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.444 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 27.9 t0 67.55 7.77 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.56 21.22 6.57 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.537 1.148 . . . . 0.0 111.03 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.042 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.4 p -123.92 107.53 18.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 0.781 . . . . 0.0 109.287 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -41.03 152.72 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 109.264 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.45 ' CG2' HG13 ' A' ' 59' ' ' ILE . 68.7 p -118.26 -37.18 3.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -43.75 -36.05 2.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.7 t -81.04 -36.33 30.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 110.379 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 64' ' ' THR . 27.1 mtm -78.84 154.62 29.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.14 . . . . 0.0 111.038 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.4 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 79.1 p -84.44 172.48 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -55.04 -54.37 43.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.626 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.7 tp -56.42 -56.08 25.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.4 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 14.6 mm-40 -40.48 -64.77 0.48 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.308 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.52 -53.3 11.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' CG ' HD12 ' A' ' 24' ' ' LEU . 4.3 mt-30 -49.93 -45.78 51.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -30.17 69.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -36.53 83.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.677 HG23 ' CD2' ' A' ' 83' ' ' LEU . 79.8 mt -58.16 -50.98 76.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -65.32 -48.56 72.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.375 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -40.43 -55.08 2.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 110.02 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 82' ' ' ASN . . . -42.04 152.6 0.08 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.5 m -127.91 -86.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.996 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.03 -56.76 5.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.494 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 4.1 m120 -140.41 169.69 17.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.677 ' CD2' HG23 ' A' ' 76' ' ' ILE . 26.2 tp -126.91 91.42 3.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.7 m -82.65 142.78 31.44 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 110.034 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.085 HD23 HG23 ' A' ' 59' ' ' ILE . 11.1 mt -144.65 118.5 9.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.266 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.499 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.8 m -89.71 116.76 28.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.433 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.569 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -108.29 171.12 7.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.62 140.33 40.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.308 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.91 109.14 11.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.0 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.994 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.85 86.31 0.84 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.058 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 51.72 100.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.092 . . . . 0.0 109.946 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.94 160.07 12.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.12 77.21 6.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 0.763 . . . . 0.0 110.037 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -107.68 160.86 15.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.59 -44.26 0.18 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -170.2 102.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 111.024 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -89.93 128.4 36.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.025 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.499 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.2 p90 -135.49 177.5 7.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.7 p -137.46 162.05 34.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.97 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.792 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.8 t -122.58 146.28 28.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.298 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 89.2 m -117.58 96.22 5.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.144 . . . . 0.0 110.395 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.003 HD11 ' CD1' ' A' ' 50' ' ' LEU . 27.6 mt -100.8 98.72 9.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.5 m -68.11 135.84 52.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.502 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -99.93 153.46 19.48 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -74.98 143.86 79.16 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 121.04 -2.483 . . . . 0.0 110.975 0.004 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.501 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -65.41 -88.1 0.05 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.468 1.105 . . . . 0.0 111.014 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.501 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.97 174.31 53.34 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 121.048 -2.48 . . . . 0.0 110.969 -0.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.538 ' CE3' HD23 ' A' ' 83' ' ' LEU . 1.1 m95 -91.25 97.68 11.27 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.46 46.85 3.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 22' ' ' PHE . 2.7 p90 -136.97 149.09 47.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 0.766 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.1 mtt-85 -115.19 169.89 8.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 110.274 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.82 HD22 HD23 ' A' ' 34' ' ' LEU . 39.0 mt -114.43 164.12 14.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -130.09 170.56 13.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.096 . . . . 0.0 110.259 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.35 -140.59 0.35 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.494 1.121 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.81 166.56 12.42 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.78 -35.63 23.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.44 0.729 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -65.73 -46.6 78.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -86.85 14.69 6.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 46.18 34.01 1.98 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 0.0 109.287 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -131.97 163.54 49.35 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.559 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.1 Cg_endo -75.03 128.44 11.47 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.526 1.803 . . . . 0.0 110.96 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.82 HD23 HD22 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -62.97 102.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.595 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -115.17 157.24 23.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 110.43 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.795 HG21 HD11 ' A' ' 39' ' ' ILE . 17.6 mm -64.17 104.8 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.486 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 1.3 t -58.15 -75.34 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 167.41 20.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.795 HD11 HG21 ' A' ' 36' ' ' ILE . 79.1 mt -143.93 133.24 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.3 m -84.08 143.91 43.46 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 135.54 19.25 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.789 . . . . 0.0 111.045 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 93.36 -29.62 8.1 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.4 p -56.89 170.66 0.4 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 0.781 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.98 -27.61 65.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.18 -22.7 62.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.2 15.78 21.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -137.56 10.17 2.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.4 ' OG ' ' N ' ' A' ' 49' ' ' GLN . 51.7 p -119.32 -135.01 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.4 ' N ' ' OG ' ' A' ' 48' ' ' SER . 11.9 mt-30 -113.35 -2.8 13.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.003 ' CD1' HD11 ' A' ' 14' ' ' LEU . 15.3 mt -69.48 122.2 18.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.7 m -133.5 150.57 51.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.016 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.486 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.5 tt0 -63.58 121.94 15.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 110.328 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 111.62 -29.18 8.8 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.486 ' OD2' HD23 ' A' ' 87' ' ' LEU . 62.2 m-20 -38.83 155.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.462 0.742 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.595 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.87 114.86 28.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 39.1 t -83.67 131.17 34.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.293 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.98 -63.62 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.25 133.28 46.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.088 HG23 HD23 ' A' ' 85' ' ' LEU . 44.8 mt -92.44 108.16 19.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 14.8 t0 68.24 7.32 5.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 111.67 21.53 6.41 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.472 1.107 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.04 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.1 p -122.85 106.63 17.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.413 ' C ' ' O ' ' A' ' 62' ' ' VAL . 11.8 t-20 -39.49 147.55 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.108 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.466 HG21 HG13 ' A' ' 59' ' ' ILE . 63.0 p -114.99 -32.8 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.391 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.34 -36.38 4.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -81.06 -32.26 34.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.465 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 3.5 mtm -81.41 154.88 26.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 111.012 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 64.1 p -85.11 -179.85 7.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 110.42 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -61.13 -52.14 66.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.135 . . . . 0.0 109.589 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.47 -58.08 10.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -38.59 -59.33 0.93 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.1 -46.23 61.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -61.15 -37.34 82.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.26 -33.41 73.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.619 ' HE2' HG11 ' A' ' 62' ' ' VAL . 0.5 OUTLIER -61.55 -43.13 99.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.464 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 78.7 mt -51.7 -50.3 31.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.48 -44.77 89.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 48.4 t -46.18 -46.74 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.963 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.75 148.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 t -137.18 -50.12 0.63 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.967 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.77 -55.06 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -139.16 147.19 41.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.538 HD23 ' CE3' ' A' ' 20' ' ' TRP . 22.6 tp -116.25 85.99 2.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 1.1 m -82.22 146.05 29.72 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.012 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.088 HD23 HG23 ' A' ' 59' ' ' ILE . 10.4 mt -144.73 119.74 10.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 63.1 m -89.79 118.49 29.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.093 . . . . 0.0 110.394 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.992 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -108.38 172.11 7.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.04 133.36 29.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.26 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 mmtp -68.28 122.5 18.47 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.0 m 62.31 106.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 0.753 . . . . 0.0 109.989 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 144.12 33.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.442 1.089 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.29 100.37 1.07 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.3 p -119.75 126.27 50.64 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.993 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -47.78 163.82 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.66 -41.6 0.34 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.482 1.114 . . . . 0.0 110.997 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.6 ttp 179.25 105.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.52 0.776 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -88.35 123.49 32.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.014 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.463 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 5.6 p90 -132.91 177.7 7.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m -137.57 169.73 17.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 1.081 HG11 HD23 ' A' ' 50' ' ' LEU . 39.4 t -130.31 151.13 35.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.8 m -127.3 101.5 6.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.401 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD11 ' CD2' ' A' ' 50' ' ' LEU . 6.9 mt -107.27 102.98 12.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.9 m -68.37 131.0 44.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.418 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.515 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -92.34 150.52 20.18 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -75.03 146.4 86.53 Favored 'Cis proline' 0 C--N 1.36 1.161 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.006 0.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.506 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.98 -89.9 0.06 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.49 1.119 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.506 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.01 174.14 54.25 Favored 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.996 -2.502 . . . . 0.0 110.978 0.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.437 ' CD2' HD23 ' A' ' 83' ' ' LEU . 1.4 m95 -90.7 97.49 11.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 107.999 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.99 50.82 3.97 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.523 1.139 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.478 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 3.4 p90 -144.22 130.27 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 0.739 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -96.21 170.24 9.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.456 HD12 ' CG ' ' A' ' 73' ' ' GLN . 37.3 mt -112.25 160.27 17.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.5 OUTLIER -128.94 171.75 12.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.22 -141.08 0.29 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.58 163.25 11.7 Favored Glycine 0 CA--C 1.529 0.968 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -48.08 -34.01 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -65.99 -46.46 77.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -89.73 20.46 4.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 41.03 35.89 0.4 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.2 mmm -132.27 163.1 52.73 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 128.66 11.65 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.511 1.795 . . . . 0.0 111.02 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.872 HG22 HD12 ' A' ' 55' ' ' LEU . 4.1 p -113.59 159.46 19.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.409 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 8.5 mm -71.3 101.27 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 109.264 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.489 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 2.0 t -50.17 -74.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' HD2' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -142.68 165.78 26.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.277 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 73.1 mt -138.68 139.4 41.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -87.76 132.97 38.78 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 110.379 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 108.71 2.78 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 126.66 -22.67 5.78 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.524 1.14 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 39.4 p -74.96 169.36 18.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 110.025 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.17 -32.52 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.044 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.48 -20.45 66.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.335 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.51 16.87 23.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -136.08 10.18 3.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.648 ' HB2' HG13 ' A' ' 12' ' ' VAL . 90.6 p -111.56 -130.23 0.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.008 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -133.83 14.33 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.081 HD23 HG11 ' A' ' 12' ' ' VAL . 3.9 pp -96.02 121.77 38.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 70.6 m -121.12 167.81 12.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.032 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' SER . 8.0 tt0 -69.58 136.68 51.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 98.63 -24.8 30.6 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.045 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.728 ' OD2' HD23 ' A' ' 87' ' ' LEU . 70.0 m-20 -40.0 156.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 0.776 . . . . 0.0 109.283 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.872 HD12 HG22 ' A' ' 35' ' ' THR . 0.7 OUTLIER -111.55 103.49 11.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.333 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 32.3 t -75.83 133.0 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -109.7 -62.56 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.464 ' HB1' ' N ' ' A' ' 62' ' ' VAL . . . -128.94 130.99 47.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.072 HG23 ' CD2' ' A' ' 85' ' ' LEU . 20.5 mt -89.27 108.59 19.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 84' ' ' SER . 1.4 t70 68.58 7.75 6.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 110.48 21.98 6.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.9 p -121.76 103.91 14.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.489 0.758 . . . . 0.0 109.322 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' VAL . 26.5 t-20 -40.31 145.22 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.445 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.9 p -115.73 -13.75 11.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.396 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -55.13 -22.91 18.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 3.5 t -102.49 -21.99 14.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.417 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.456 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 1.0 OUTLIER -87.12 142.76 27.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 ' OG1' ' CG ' ' A' ' 71' ' ' GLU . 62.8 p -81.63 167.19 19.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.127 . . . . 0.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -47.28 -53.15 14.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 109.614 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -60.55 -57.37 13.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.31 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' CG ' ' OG1' ' A' ' 68' ' ' THR . 4.2 mm-40 -38.22 -61.79 0.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.571 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -50.22 -55.06 16.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.274 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.456 ' CG ' HD12 ' A' ' 24' ' ' LEU . 1.6 mt-30 -48.74 -43.32 37.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -56.5 -26.02 53.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.367 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.456 ' HD3' ' CE ' ' A' ' 67' ' ' MET . 0.0 OUTLIER -70.64 -54.0 13.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 83' ' ' LEU . 65.4 mt -40.48 -49.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -44.25 73.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.435 1.084 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.2 t -48.69 -52.12 25.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.999 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.5 157.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.091 . . . . 0.0 109.242 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.6 -88.37 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.89 -56.19 6.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 110.985 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -143.06 151.65 41.02 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.132 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 20' ' ' TRP . 20.6 tp -114.35 87.86 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.9 m -81.39 144.04 31.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.982 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.072 ' CD2' HG23 ' A' ' 59' ' ' ILE . 9.9 mt -143.97 131.52 21.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.504 ' C ' HD12 ' A' ' 87' ' ' LEU . 60.8 m -101.49 114.79 29.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.36 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.9 172.35 6.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.03 137.82 31.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.265 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.93 111.55 12.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.251 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.0 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.969 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.02 121.46 42.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 110.028 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.5 m -94.35 -57.94 2.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.011 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.53 117.47 4.21 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.3 t -174.22 -58.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 0.754 . . . . 0.0 110.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.5 p -152.01 177.13 10.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.57 -45.23 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 mtp -177.91 112.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 110.991 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.6 p -89.11 123.17 33.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.14 . . . . 0.0 109.98 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 7.8 p90 -132.85 177.58 7.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.973 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.6 p -144.21 156.11 44.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.009 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.96 HG11 HD23 ' A' ' 50' ' ' LEU . 5.9 t -115.43 147.93 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.0 m -127.12 96.58 4.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.397 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 50' ' ' LEU . 8.1 mt -101.1 150.79 22.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 97.4 m -106.83 141.33 38.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.496 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -105.47 151.19 17.12 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.5 Cg_endo -74.98 143.22 77.13 Favored 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.991 -2.504 . . . . 0.0 111.029 -0.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.507 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -66.05 -89.51 0.05 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.507 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.5 Cg_endo -74.97 174.28 53.46 Favored 'Cis proline' 0 C--N 1.36 1.154 0 C-N-CA 120.996 -2.502 . . . . 0.0 111.037 -0.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 1.3 m95 -90.14 97.51 11.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 39' ' ' ILE . . . -81.15 51.93 4.43 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.7 p90 -145.16 131.13 19.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 0.741 . . . . 0.0 111.015 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.425 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 18.3 mmt180 -101.38 160.08 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 HD23 ' A' ' 34' ' ' LEU . 52.5 mt -99.97 150.81 22.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.3 OUTLIER -120.52 164.43 16.45 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.14 -144.95 0.11 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.478 1.111 . . . . 0.0 110.969 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.443 ' O ' ' N ' ' A' ' 32' ' ' MET . . . 138.48 -179.46 18.39 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.2 tttp -67.91 -33.35 74.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 0.76 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -61.92 -35.43 78.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -98.77 3.76 47.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.998 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.2 t30 64.93 19.72 11.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.34 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 27' ' ' GLY . 68.1 mtp -114.14 158.39 39.66 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 111.038 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.18 12.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.975 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.651 HD23 HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.66 102.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 0.0 109.286 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.869 HG22 HD12 ' A' ' 55' ' ' LEU . 5.2 p -113.74 158.62 20.69 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.411 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.87 HG21 HD11 ' A' ' 39' ' ' ILE . 14.5 mm -68.97 97.47 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB3' ' CB ' ' A' ' 23' ' ' ARG . 28.8 t -46.0 -72.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.046 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.67 166.58 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.87 HD11 HG21 ' A' ' 36' ' ' ILE . 63.6 mt -138.93 139.54 40.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.1 m -84.92 137.5 37.79 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.21 3.51 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.492 1.786 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 118.89 -24.11 8.49 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.7 p -72.59 161.19 31.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.997 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.24 -35.72 60.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.921 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -60.22 -26.46 66.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.23 17.07 22.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.572 1.17 . . . . 0.0 109.299 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -136.69 11.09 3.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 99.1 p -112.83 -129.61 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -130.89 6.39 4.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.42 1.075 . . . . 0.0 110.284 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HG11 ' A' ' 12' ' ' VAL . 3.6 pp -93.55 121.79 35.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 109.342 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 65.9 m -120.59 173.17 7.34 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 1.11 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -73.04 136.55 45.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.264 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 99.44 -25.07 29.7 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.496 1.123 . . . . 0.0 110.994 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.641 ' OD2' HD23 ' A' ' 87' ' ' LEU . 88.7 m-20 -40.12 156.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.869 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -111.44 103.2 11.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.342 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.1 t -75.08 132.41 33.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.22 -63.78 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.29 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -126.34 140.6 52.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.049 ' O ' HG12 ' A' ' 62' ' ' VAL . 49.0 mt -97.71 107.39 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 84' ' ' SER . 2.4 t70 69.16 4.15 4.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.27 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.59 8.3 9.2 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.049 HG12 ' O ' ' A' ' 59' ' ' ILE . 9.4 p -112.01 108.4 25.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.745 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.411 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 13.5 t-20 -44.77 151.02 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.467 ' N ' ' O ' ' A' ' 57' ' ' VAL . 57.5 p -114.11 -21.69 10.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.359 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.411 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 23.2 t0 -53.55 -21.67 6.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 5.1 t -96.89 -22.4 16.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 1.7 mtm -94.89 153.0 17.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.1 p -85.53 172.7 10.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.388 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -52.12 -52.29 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.629 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 10.6 tp -59.02 -57.87 11.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.347 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -39.11 -61.42 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 110.276 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HB1' HD11 ' A' ' 59' ' ' ILE . . . -48.12 -49.22 32.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -54.29 -53.54 52.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -51.13 -34.64 31.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.72 -43.83 90.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.449 HG23 ' CD2' ' A' ' 83' ' ' LEU . 82.0 mt -52.58 -50.03 42.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.292 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -64.25 -48.52 75.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 t -40.74 -51.79 3.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.551 1.157 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.41 159.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.302 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.6 t -139.86 -70.79 0.39 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.31 -56.35 7.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -136.32 164.75 27.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' CD2' HG23 ' A' ' 76' ' ' ILE . 17.8 tp -132.48 87.62 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 m -81.28 143.09 32.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.87 HD23 HG23 ' A' ' 59' ' ' ILE . 5.9 mt -142.11 122.45 13.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.515 ' C ' HD12 ' A' ' 87' ' ' LEU . 11.5 m -92.52 116.94 29.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.436 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -107.47 172.41 6.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -140.64 129.23 22.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -67.5 117.04 8.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.94 -179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.1 t 66.65 113.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 0.782 . . . . 0.0 110.057 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.83 142.39 0.68 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.35 133.25 1.45 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -128.49 153.53 47.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 0.769 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m 69.11 176.49 0.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.137 . . . . 0.0 110.002 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.97 -43.67 0.16 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.405 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.8 OUTLIER -175.81 108.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.543 0.79 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.0 p -92.02 117.48 29.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 8.5 p90 -128.61 177.3 7.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 111.009 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 79.2 p -136.21 160.94 37.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.95 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.724 HG21 ' HG ' ' A' ' 50' ' ' LEU . 3.1 t -126.27 133.95 67.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.26 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 97.8 m -110.87 109.49 19.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.417 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.727 HD11 ' CD1' ' A' ' 50' ' ' LEU . 8.6 mt -114.22 108.85 17.5 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.145 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.6 m -71.41 128.07 34.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.138 . . . . 0.0 110.384 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -93.97 155.07 21.82 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.1 Cg_endo -75.01 145.66 84.52 Favored 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 121.052 -2.478 . . . . 0.0 111.002 0.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.489 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -69.18 -85.29 0.12 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -74.93 174.05 54.63 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 121.034 -2.486 . . . . 0.0 111.009 -0.065 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.551 ' CD2' HD23 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -91.53 97.63 11.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 108.017 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -88.5 54.66 4.16 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.9 p90 -141.85 133.95 27.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 0.778 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -100.22 165.67 11.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 110.289 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.67 HD13 HD21 ' A' ' 34' ' ' LEU . 31.9 mt -110.5 163.99 13.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -129.63 172.94 11.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 110.329 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -140.96 0.33 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.466 1.104 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.8 176.6 14.52 Favored Glycine 0 CA--C 1.529 0.958 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 tttt -61.76 -39.56 92.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.416 0.715 . . . . 0.0 109.333 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.1 -43.71 94.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -84.61 6.6 23.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 111.033 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 52.0 34.93 14.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 3.9 mmm -134.0 163.38 51.55 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.989 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -75.01 128.0 11.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.489 1.784 . . . . 0.0 110.976 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.67 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.71 102.37 0.19 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -115.87 158.72 22.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.371 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.781 HG21 HD11 ' A' ' 39' ' ' ILE . 19.3 mm -65.7 109.46 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.333 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -64.59 -69.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -143.52 163.9 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.279 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.781 HD11 HG21 ' A' ' 36' ' ' ILE . 96.5 mt -140.48 142.42 30.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.62 HG23 ' HD2' ' A' ' 41' ' ' PRO . 3.2 m -84.08 143.19 42.26 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.62 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.99 120.49 6.09 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.512 1.796 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.4 -13.19 54.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 84.5 p -70.96 158.66 36.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 110.034 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.02 -23.17 67.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.04 -24.25 60.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.339 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -100.86 7.01 43.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -132.53 28.07 4.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 2.6 p -133.07 -104.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.011 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -145.14 15.5 1.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.138 . . . . 0.0 110.265 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.025 HD23 HD21 ' A' ' 87' ' ' LEU . 6.3 mt -94.67 121.83 36.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 p -127.95 156.37 42.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -70.27 110.89 5.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.415 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 124.07 -28.57 5.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.452 1.095 . . . . 0.0 110.975 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.449 ' OD2' HD23 ' A' ' 87' ' ' LEU . 96.7 m-20 -38.62 156.0 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 0.795 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.573 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -110.47 112.67 24.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.272 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 34' ' ' LEU . 34.5 t -82.14 129.39 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.02 -65.72 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.275 -179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -120.92 136.51 54.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.06 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.8 mt -101.18 107.66 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 23.0 t70 67.24 6.9 5.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.339 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.63 16.4 7.55 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.465 1.103 . . . . 0.0 111.041 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.06 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.4 p -121.61 111.95 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.762 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -48.35 153.52 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.143 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 57' ' ' VAL . 70.8 p -115.17 -14.32 11.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.61 -20.77 50.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 10.0 t -111.33 18.54 19.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 48.9 mtm -130.57 136.11 48.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 p -73.84 163.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.383 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -44.56 -50.73 9.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.565 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 70' ' ' LEU . 9.8 tp -59.65 -59.93 4.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -38.84 -56.44 1.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.435 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -53.28 -47.88 68.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -57.06 -45.49 83.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.304 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -56.58 -33.82 66.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.751 ' HE3' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER -59.12 -38.85 80.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.48 HG23 ' CD2' ' A' ' 83' ' ' LEU . 68.5 mt -57.94 -50.19 78.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.36 -47.88 74.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -41.21 -56.22 2.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.23 161.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -141.46 -87.78 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.548 1.155 . . . . 0.0 109.982 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.42 -56.5 14.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.971 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -137.02 148.24 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.551 HD23 ' CD2' ' A' ' 20' ' ' TRP . 14.5 tp -119.48 93.98 4.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.1 m -86.83 145.34 26.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.028 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 1.031 HD23 HG23 ' A' ' 59' ' ' ILE . 8.0 mt -144.12 123.28 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.503 ' C ' HD12 ' A' ' 87' ' ' LEU . 46.0 m -92.18 119.47 31.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.159 . . . . 0.0 110.398 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.025 HD21 HD23 ' A' ' 50' ' ' LEU . 0.8 OUTLIER -108.07 171.95 7.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -142.63 142.18 32.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.335 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -88.84 118.6 28.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 109.348 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.426 1.079 . . . . 0.0 110.025 -179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.7 p -62.09 -58.4 7.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.762 . . . . 0.0 109.985 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m -59.81 167.93 1.96 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.52 97.34 0.17 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.473 1.108 . . . . 0.0 111.026 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t -77.07 79.86 3.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 0.752 . . . . 0.0 110.006 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -155.86 167.5 30.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.003 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.56 -45.7 0.02 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.1 mtp -169.0 100.9 0.37 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.492 0.76 . . . . 0.0 110.945 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m -92.42 127.77 38.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.001 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 3.6 p90 -133.45 177.42 7.71 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.7 p -136.35 164.17 28.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.012 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.915 HG21 ' HB3' ' A' ' 50' ' ' LEU . 3.5 t -129.04 136.15 60.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.115 . . . . 0.0 109.249 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.2 m -111.0 99.69 8.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.096 HD11 HD21 ' A' ' 50' ' ' LEU . 47.6 mt -102.4 99.43 9.49 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.3 m -63.9 140.53 58.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 0.0 110.446 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.47 154.7 17.5 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.544 1.152 . . . . 0.0 111.03 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.4 Cg_endo -74.97 143.83 79.06 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.024 -2.49 . . . . 0.0 111.008 -0.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.5 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.77 -89.76 0.04 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.5 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.04 174.31 53.38 Favored 'Cis proline' 0 C--N 1.36 1.167 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.006 0.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.595 ' CD2' ' CD2' ' A' ' 83' ' ' LEU . 1.4 m95 -90.73 97.53 11.24 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.99 45.79 3.58 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' O ' ' CD1' ' A' ' 22' ' ' PHE . 1.9 p90 -139.79 137.23 34.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -103.36 170.0 8.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.786 HD13 HD21 ' A' ' 34' ' ' LEU . 85.8 mt -108.76 152.43 24.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 109.295 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.8 OUTLIER -120.31 165.82 14.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.243 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.18 -147.89 0.06 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.133 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 136.07 174.56 13.41 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.92 -32.98 74.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.349 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 -39.61 78.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.429 1.08 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -99.61 -1.01 39.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 110.969 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 72.94 13.55 4.95 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.269 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.2 mtp -104.94 158.82 31.2 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.551 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.94 128.51 11.59 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.562 1.822 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.786 HD21 HD13 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -59.45 102.25 0.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.537 HG22 ' HA ' ' A' ' 55' ' ' LEU . 2.0 p -115.18 161.74 18.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.768 HG21 HD11 ' A' ' 39' ' ' ILE . 13.7 mm -69.31 97.08 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.437 1.086 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HA ' ' CG ' ' A' ' 25' ' ' GLN . 2.7 t -46.6 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.975 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -147.33 166.42 27.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 110.297 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.768 HD11 HG21 ' A' ' 36' ' ' ILE . 67.3 mt -139.89 139.42 37.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.644 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.9 m -82.54 143.86 48.26 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.487 1.117 . . . . 0.0 110.426 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.644 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -74.98 119.75 5.78 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.514 1.797 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 107.07 -17.74 37.5 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.461 1.101 . . . . 0.0 111.029 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.0 p -70.15 163.7 25.77 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.462 0.742 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 48' ' ' SER . 0.0 OUTLIER -63.46 -31.32 72.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.448 1.092 . . . . 0.0 109.322 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.846 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -64.0 -24.55 67.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.48 -14.34 22.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.263 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -123.79 29.6 6.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 44' ' ' LYS . 28.9 p -120.54 -85.81 0.66 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 109.992 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 48' ' ' SER . 9.5 mt-30 -166.72 -37.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.096 HD21 HD11 ' A' ' 14' ' ' LEU . 3.6 pp -67.12 127.73 33.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 49.8 m -124.47 174.03 8.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.1 . . . . 0.0 109.997 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -70.65 138.44 50.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 96.79 -31.0 8.02 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.483 1.115 . . . . 0.0 110.99 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.559 ' OD2' HD23 ' A' ' 87' ' ' LEU . 76.3 m-20 -39.33 157.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 0.778 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -111.76 113.67 26.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 29.7 t -83.1 131.13 34.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -107.8 -60.42 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.05 136.47 49.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 109.349 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.061 ' O ' HG12 ' A' ' 62' ' ' VAL . 18.1 mt -96.83 107.22 19.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.1 t0 67.65 6.17 4.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.51 15.14 7.12 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 110.965 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.061 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.2 p -120.09 108.8 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -42.67 151.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.339 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.594 HG22 HD12 ' A' ' 59' ' ' ILE . 28.3 p -118.59 -35.22 3.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -44.56 -30.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.7 t -86.93 -35.26 19.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.39 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.48 ' HE1' ' HD3' ' A' ' 75' ' ' LYS . 3.6 mtm -78.28 147.83 34.13 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.412 ' N ' ' HB2' ' A' ' 71' ' ' GLU . 68.8 p -77.33 160.87 28.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.112 . . . . 0.0 110.427 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -42.0 -51.95 4.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' A' ' 70' ' ' LEU . 12.0 tp -61.47 -56.36 21.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HB2' ' N ' ' A' ' 68' ' ' THR . 3.1 mm-40 -38.96 -55.16 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.244 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -56.16 -46.2 79.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 109.335 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.618 ' HG2' HD12 ' A' ' 24' ' ' LEU . 2.3 mt-30 -57.06 -39.56 75.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 0.0 110.322 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -63.91 -29.8 70.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.627 ' HB3' HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -63.65 -35.92 82.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.94 -53.34 49.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -42.45 99.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -44.39 -49.64 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 110.016 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.04 148.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.07 -50.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 110.06 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.44 -56.81 3.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.971 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -141.54 140.93 33.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.143 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.595 ' CD2' ' CD2' ' A' ' 20' ' ' TRP . 35.2 tp -99.27 86.29 3.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.109 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 60' ' ' ASP . 2.2 m -85.05 141.31 30.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.969 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.952 HD23 HG23 ' A' ' 59' ' ' ILE . 6.1 mt -143.1 134.55 26.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.502 ' C ' HD12 ' A' ' 87' ' ' LEU . 27.9 m -104.15 116.2 31.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.44 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.559 HD23 ' OD2' ' A' ' 54' ' ' ASP . 0.6 OUTLIER -106.78 171.71 7.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -137.71 141.05 41.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.2 mmtt -70.88 116.12 10.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.1 p . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.944 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.6 114.4 7.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 0.802 . . . . 0.0 110.005 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -58.32 -53.41 58.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.999 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.93 -148.45 18.92 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.4 t -163.39 -64.0 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 0.77 . . . . 0.0 110.03 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.7 p -87.05 167.4 14.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.957 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.85 -45.57 0.05 OUTLIER Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.501 1.125 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -176.71 113.05 0.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.751 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.5 p -89.65 124.7 34.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.981 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.507 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 6.3 p90 -133.55 177.56 7.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 110.949 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.3 p -140.73 160.95 38.93 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 109.993 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.835 HG21 ' HG ' ' A' ' 50' ' ' LEU . 4.2 t -125.91 136.81 59.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 99.0 m -103.45 96.7 6.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.418 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 ' CD1' ' A' ' 50' ' ' LEU . 36.7 mt -95.63 84.76 4.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.8 m -61.58 132.58 53.77 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -96.75 156.45 21.03 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.05 146.25 86.1 Favored 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.018 -2.493 . . . . 0.0 110.983 0.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.511 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -64.55 -93.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.471 1.107 . . . . 0.0 111.047 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.511 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.93 174.43 52.67 Favored 'Cis proline' 0 C--N 1.36 1.171 0 C-N-CA 121.006 -2.497 . . . . 0.0 111.004 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.449 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 2.0 m95 -92.92 97.97 11.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 108.01 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -90.89 37.22 3.42 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 0.0 111.03 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.607 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 4.3 p90 -128.74 138.28 52.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 0.774 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.4 mmt-85 -103.35 169.39 8.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.268 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.793 HD13 HD21 ' A' ' 34' ' ' LEU . 72.1 mt -113.12 159.52 19.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.163 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' O ' ' C ' ' A' ' 26' ' ' GLY . 0.0 OUTLIER -124.55 169.58 11.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.47 -142.71 0.24 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.485 1.116 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.73 166.46 12.29 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -49.13 -37.07 20.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 0.728 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -48.63 80.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -85.9 9.14 17.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.114 . . . . 0.0 111.012 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.6 t30 54.84 21.13 3.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.7 mmm -117.2 163.2 24.28 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.012 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.555 ' HB2' HD21 ' A' ' 55' ' ' LEU . 18.2 Cg_endo -74.98 128.18 11.29 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.793 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -61.15 102.46 0.21 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.25 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.608 HG22 ' HA ' ' A' ' 55' ' ' LEU . 1.9 p -115.61 158.21 23.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.817 HG21 HD11 ' A' ' 39' ' ' ILE . 15.9 mm -65.22 104.16 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 12.9 t -58.52 -74.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.142 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.2 166.58 22.76 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.817 HD11 HG21 ' A' ' 36' ' ' ILE . 79.9 mt -144.05 135.52 22.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.8 m -83.03 136.88 43.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.351 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 130.02 12.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.25 -14.05 66.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.557 1.161 . . . . 0.0 110.961 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 p -78.39 173.98 11.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.019 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.67 -40.54 92.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -61.86 -17.6 57.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -105.97 21.24 17.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 109.251 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.2 mt-30 -140.52 13.19 2.34 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.426 ' HB3' HG13 ' A' ' 12' ' ' VAL . 2.3 m -124.24 -136.9 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 109.968 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -113.7 -1.07 14.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.96 HD23 HD21 ' A' ' 87' ' ' LEU . 5.4 mt -68.97 122.29 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.5 m -132.98 142.87 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.991 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.482 ' CG ' ' O ' ' A' ' 37' ' ' SER . 2.8 tt0 -56.49 124.2 17.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 109.6 -28.83 10.17 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.508 ' OD2' HD23 ' A' ' 87' ' ' LEU . 51.7 m-20 -38.99 156.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.608 ' HA ' HG22 ' A' ' 35' ' ' THR . 0.3 OUTLIER -111.98 113.95 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 38.9 t -83.58 131.33 34.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -109.5 -61.99 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.31 134.15 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.442 1.089 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.048 ' O ' HG12 ' A' ' 62' ' ' VAL . 81.1 mt -96.2 107.69 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 84' ' ' SER . 42.6 t0 67.02 7.21 5.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.48 18.06 6.79 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.048 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.2 p -123.02 108.39 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.446 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 26.2 t-20 -44.05 152.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 57' ' ' VAL . 44.8 p -115.93 -14.13 11.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 7.1 t0 -63.01 -14.94 54.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 9.0 t -110.93 -3.25 15.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.385 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . . . . . . . . . 4.9 mtm -110.37 133.71 53.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 70.1 p -69.57 162.98 26.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -44.48 -51.06 9.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.615 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 70' ' ' LEU . 9.8 tp -60.96 -58.93 6.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -39.42 -56.44 1.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.08 -46.6 68.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.09 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -57.62 -46.61 83.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -58.91 -27.28 65.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -65.25 -35.44 81.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.607 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 50.2 mt -63.89 -43.39 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 10.3 mttp -68.13 -42.43 80.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -47.67 13.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 110.013 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' CB ' ' HB2' ' A' ' 83' ' ' LEU . . . -41.27 152.63 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.59 -58.77 0.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.994 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.62 -54.79 3.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.423 ' N ' ' OD1' ' A' ' 82' ' ' ASN . 2.4 p30 -136.29 144.25 44.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 76' ' ' ILE . 7.4 tp -116.95 94.11 4.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.5 OUTLIER -86.61 147.03 26.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.016 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.997 HD23 HG23 ' A' ' 59' ' ' ILE . 11.2 mt -144.35 119.69 10.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.105 . . . . 0.0 109.296 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.477 ' C ' HD12 ' A' ' 87' ' ' LEU . 28.4 m -90.44 115.58 27.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 110.382 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.96 HD21 HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -107.56 170.77 7.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -136.22 146.04 46.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.3 179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.42 110.25 19.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.285 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 24.5 p . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.961 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 t -133.57 -54.79 0.89 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 0.746 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 t 55.98 85.09 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.962 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.0 -117.3 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.477 1.111 . . . . 0.0 110.97 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.6 p -177.47 85.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.6 p -94.31 -171.49 2.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 110.055 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.91 -45.43 0.03 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.412 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 2.3 mtp -178.33 111.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 110.989 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 97.2 p -90.84 125.52 35.76 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 110.009 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.48 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 4.5 p90 -137.22 177.43 7.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 110.998 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.8 p -141.94 159.29 42.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.989 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.828 HG11 HD23 ' A' ' 50' ' ' LEU . 5.1 t -120.48 150.29 23.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.2 m -129.3 104.44 7.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.381 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.631 HD11 ' CD2' ' A' ' 50' ' ' LEU . 5.4 mt -110.69 119.77 40.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.2 m -76.15 123.59 26.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.366 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.505 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -89.64 155.24 24.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.549 1.155 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.505 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.03 147.63 89.7 Favored 'Cis proline' 0 C--N 1.36 1.143 0 C-N-CA 120.992 -2.503 . . . . 0.0 111.024 0.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -70.26 -88.16 0.1 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.529 1.143 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.502 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.3 Cg_endo -74.99 174.2 53.93 Favored 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.017 -2.493 . . . . 0.0 110.991 0.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.629 ' CE2' HD22 ' A' ' 83' ' ' LEU . 1.0 OUTLIER -91.06 97.55 11.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.91 52.82 4.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.754 ' CZ ' HD13 ' A' ' 76' ' ' ILE . 1.4 p90 -143.23 133.9 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 0.801 . . . . 0.0 110.967 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.1 mtt85 -101.29 170.27 8.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.438 1.086 . . . . 0.0 110.317 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.656 HD11 HD11 ' A' ' 76' ' ' ILE . 25.9 mt -117.91 158.26 25.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.451 ' NE2' ' OG1' ' A' ' 35' ' ' THR . 0.2 OUTLIER -131.01 167.34 19.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 46.72 -130.3 12.03 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.473 1.108 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.03 175.19 20.84 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.15 -32.19 66.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 0.751 . . . . 0.0 109.264 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -62.55 -46.31 88.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -92.37 21.49 5.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 47.0 33.41 2.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.6 mmm -128.0 163.46 43.49 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 131.95 14.88 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.483 1.78 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.08 102.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.879 ' CG2' HD12 ' A' ' 55' ' ' LEU . 1.1 p -116.47 164.08 15.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.427 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.643 HG21 HD11 ' A' ' 39' ' ' ILE . 5.2 mm -77.48 108.72 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.418 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.1 OUTLIER -57.67 -63.9 1.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -148.78 170.82 17.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.732 HG23 ' HB3' ' A' ' 45' ' ' ALA . 69.6 mt -143.45 144.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.455 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -87.39 139.02 31.85 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 110.368 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.455 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.4 Cg_endo -74.93 125.81 9.61 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.504 1.791 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 92.03 -7.35 78.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 57.7 p -81.85 167.56 18.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 0.774 . . . . 0.0 109.974 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.34 -16.52 22.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.301 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.86 ' HB1' HD11 ' A' ' 50' ' ' LEU . . . -81.77 -20.35 39.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -106.78 8.79 31.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -117.42 -29.57 5.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.313 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.473 ' HB2' ' CG1' ' A' ' 12' ' ' VAL . 87.2 p -76.26 -127.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.013 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -136.83 10.3 3.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.86 HD11 ' HB1' ' A' ' 45' ' ' ALA . 3.8 pp -91.34 121.6 33.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.71 168.66 10.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.962 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 37' ' ' SER . 38.5 tt0 -72.76 130.1 39.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.25 -22.64 34.14 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.685 ' OD2' HD23 ' A' ' 87' ' ' LEU . 85.5 m-20 -40.69 153.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.879 HD12 ' CG2' ' A' ' 35' ' ' THR . 0.7 OUTLIER -106.69 104.14 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 26.4 t -77.11 130.33 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -106.99 -59.27 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.297 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -132.48 136.76 46.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.045 ' O ' HG12 ' A' ' 62' ' ' VAL . 38.3 mt -95.35 107.62 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 84' ' ' SER . 10.6 t0 68.58 5.62 4.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 13.33 7.98 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.045 HG12 ' O ' ' A' ' 59' ' ' ILE . 7.7 p -117.16 106.82 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.403 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 8.7 t-20 -42.49 149.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.468 ' N ' ' O ' ' A' ' 57' ' ' VAL . 43.8 p -114.23 -27.64 7.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.435 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.12 -37.84 2.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.337 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.7 t -80.31 -36.28 34.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 110.426 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 64' ' ' THR . 6.7 mtm -78.59 154.16 30.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 110.974 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 40.2 p -88.09 -164.44 1.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.394 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -70.14 -57.25 5.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 109.556 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.6 tp -58.85 -64.17 1.03 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.295 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.5 mm-40 -38.11 -54.24 1.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.552 1.157 . . . . 0.0 110.303 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.16 -46.25 75.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 70' ' ' LEU . 1.7 mt-30 -57.83 -44.6 86.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -61.36 -26.83 68.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.537 ' CD ' HG11 ' A' ' 62' ' ' VAL . 1.7 tptp -71.51 -22.39 61.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.754 HD13 ' CZ ' ' A' ' 22' ' ' PHE . 88.6 mt -77.02 -53.38 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -24.41 66.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.12 -24.56 55.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.76 152.18 44.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 0.0 109.329 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.69 -64.11 0.94 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 0.0 109.98 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.09 -53.93 8.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 110.969 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -141.36 155.23 45.95 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.629 HD22 ' CE2' ' A' ' 20' ' ' TRP . 5.9 tp -124.22 106.89 10.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.345 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 60' ' ' ASP . 0.7 OUTLIER -98.89 145.54 26.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 110.0 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.978 HD23 HG23 ' A' ' 59' ' ' ILE . 8.6 mt -143.57 122.92 13.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.479 ' C ' HD12 ' A' ' 87' ' ' LEU . 8.2 m -92.8 115.7 28.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.411 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.685 HD23 ' OD2' ' A' ' 54' ' ' ASP . 1.0 OUTLIER -107.13 172.23 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.354 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -141.91 140.04 32.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 110.271 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.412 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -81.04 119.94 24.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.53 125.65 29.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.773 . . . . 0.0 110.041 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.96 99.39 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 110.001 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.55 -137.0 2.78 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.484 1.115 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -131.0 96.35 4.03 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 0.767 . . . . 0.0 110.025 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.8 p -106.89 -173.84 2.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.972 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.95 -44.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.421 ' N ' ' HB2' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -168.46 117.22 0.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 0.78 . . . . 0.0 111.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.8 p -91.18 117.73 29.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 87' ' ' LEU . 8.2 p90 -130.78 177.9 7.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -138.99 164.08 30.69 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 49' ' ' GLN . 61.3 t -126.08 148.26 30.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.5 m -117.49 96.41 5.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.4 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.609 HD11 HD12 ' A' ' 50' ' ' LEU . 10.1 mt -100.17 92.36 5.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -66.51 141.51 57.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.501 ' HA2' ' C ' ' A' ' 17' ' ' PRO . . . -104.82 154.87 17.33 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.464 1.103 . . . . 0.0 111.025 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.501 ' C ' ' HA2' ' A' ' 16' ' ' GLY . 18.3 Cg_endo -75.0 143.99 79.54 Favored 'Cis proline' 0 C--N 1.36 1.135 0 C-N-CA 120.982 -2.507 . . . . 0.0 110.993 0.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.514 ' HA3' ' C ' ' A' ' 19' ' ' PRO . . . -63.23 -93.35 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.514 ' C ' ' HA3' ' A' ' 18' ' ' GLY . 18.2 Cg_endo -75.06 174.21 53.91 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.974 -2.511 . . . . 0.0 110.989 0.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.479 ' CZ3' ' HB3' ' A' ' 14' ' ' LEU . 2.6 m95 -90.46 97.55 11.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.62 49.7 3.43 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 22' ' ' PHE . 3.3 p90 -142.47 143.17 32.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 0.737 . . . . 0.0 110.998 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.8 mtm180 -108.79 165.78 11.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.265 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.73 HD13 HD21 ' A' ' 34' ' ' LEU . 64.9 mt -108.46 164.33 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' THR . 0.0 OUTLIER -130.01 173.38 10.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' GLN . . . 37.28 -144.88 0.13 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.21 171.69 13.1 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -56.34 -34.96 67.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.536 0.786 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.88 -45.46 81.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -88.9 11.73 17.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.995 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 47.24 35.53 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.165 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 1.3 mmm -131.31 164.26 43.65 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 128.8 11.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.528 1.804 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.73 HD21 HD13 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -60.6 102.41 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.841 HG22 HD12 ' A' ' 55' ' ' LEU . 5.6 p -114.23 161.46 17.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 110.406 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.998 HG21 HD11 ' A' ' 39' ' ' ILE . 11.1 mm -70.97 97.12 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.11 -72.36 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -145.87 164.21 32.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.998 HD11 HG21 ' A' ' 36' ' ' ILE . 67.0 mt -139.05 143.01 32.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.763 HG23 ' HD2' ' A' ' 41' ' ' PRO . 2.2 m -94.26 146.5 31.69 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.405 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.763 ' HD2' HG23 ' A' ' 40' ' ' THR . 18.3 Cg_endo -75.02 132.02 14.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.496 1.787 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 101.83 -45.46 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.504 1.128 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.4 p -49.22 170.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 0.755 . . . . 0.0 109.995 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HB3' HD22 ' A' ' 14' ' ' LEU . 3.5 mmmt -62.59 -38.65 90.95 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.246 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.617 ' HB3' HG23 ' A' ' 39' ' ' ILE . . . -55.08 -28.34 51.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -95.69 18.46 12.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -139.88 12.51 2.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.72 ' HB2' HG13 ' A' ' 12' ' ' VAL . 83.3 p -123.11 -134.91 0.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.0 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.768 ' HB2' HG22 ' A' ' 12' ' ' VAL . 3.3 mt-30 -117.64 1.87 12.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.31 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.692 ' HG ' HG11 ' A' ' 12' ' ' VAL . 95.5 mt -68.55 128.03 35.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.404 ' N ' ' OD2' ' A' ' 54' ' ' ASP . 31.5 m -140.32 146.69 38.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 1.099 . . . . 0.0 109.991 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -61.83 119.92 9.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 54' ' ' ASP . . . 113.62 -28.38 8.6 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.478 ' HB2' ' CG1' ' A' ' 36' ' ' ILE . 87.3 m-20 -39.17 154.87 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 0.754 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.841 HD12 HG22 ' A' ' 35' ' ' THR . 0.6 OUTLIER -112.83 104.62 12.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.9 t -76.93 132.04 33.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 109.258 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.0 OUTLIER -108.91 -60.84 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 62' ' ' VAL . . . -130.09 137.42 50.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.074 ' O ' HG12 ' A' ' 62' ' ' VAL . 19.9 mt -94.92 107.48 19.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' HA ' ' CB ' ' A' ' 84' ' ' SER . 4.4 t0 68.38 5.78 4.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.351 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 117.16 12.73 8.09 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.517 1.135 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 1.074 HG12 ' O ' ' A' ' 59' ' ' ILE . 8.9 p -116.82 106.83 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -40.8 156.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 57' ' ' VAL . 30.9 p -124.81 0.29 8.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -65.56 -44.98 85.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 4.0 t -82.13 -14.34 55.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.401 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' MET . . . . . 0.467 ' CE ' ' HD3' ' A' ' 75' ' ' LYS . 0.3 OUTLIER -92.25 138.22 31.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.994 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -80.85 164.99 22.26 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 110.398 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -43.26 -49.81 6.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 109.579 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.481 HD12 ' HA ' ' A' ' 70' ' ' LEU . 7.8 tp -62.46 -60.77 3.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 70' ' ' LEU . 1.9 mm-40 -38.51 -56.36 1.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.324 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.405 ' HB1' HD21 ' A' ' 34' ' ' LEU . . . -55.25 -45.58 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.61 ' HG2' HD12 ' A' ' 24' ' ' LEU . 4.7 mt-30 -59.2 -39.01 81.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -61.5 -31.54 71.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HB3' HG21 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -61.23 -44.26 97.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.259 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.414 ' CG2' ' CD1' ' A' ' 20' ' ' TRP . 84.6 mt -51.25 -53.08 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -62.93 -36.9 84.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -50.18 -50.95 47.64 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.57 152.6 0.14 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.3 m -136.29 -55.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.013 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -87.97 -54.43 4.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -135.96 146.36 47.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 25.3 tp -113.66 84.31 2.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.459 ' CB ' ' HA ' ' A' ' 60' ' ' ASP . 2.7 m -80.06 142.66 34.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.949 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.948 HD23 HG23 ' A' ' 59' ' ' ILE . 8.2 mt -143.31 127.12 17.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.496 ' C ' HD12 ' A' ' 87' ' ' LEU . 18.2 m -96.72 116.08 28.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.409 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD21 ' CD2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -108.05 172.72 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -143.5 128.34 18.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.153 . . . . 0.0 110.318 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HB2' ' N ' ' A' ' 8' ' ' MET . 0.8 OUTLIER -71.62 110.34 6.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.265 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.2 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.023 179.971 . . . . . . . . 0 0 . 1 stop_ save_